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4cc9

Crystal structure of human SAMHD1 (amino acid residues 582-626) bound to Vpx isolated from sooty mangabey and human DCAF1 (amino acid residues 1058-1396)

Method: X-RAY DIFFRACTION Dmax: 72.1 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

PROTEIN VPRBP

HOMO SAPIENS

UniProt Q9Y4B6

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain A； UniProt 1058–1396 Fragment：RESIDUES 1058-1396 PROTEIN VPX × 1 （P19508） DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1 × 1 （Q9Y3Z3） PG4 TETRAETHYLENE GLYCOL × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：0.2 M MAGNESIUM CHLORIDE, 0.1 M HEPES PH 7.5, 15% PEG 400 Resolution 2.47 Å R-free 0.216

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 4CC9 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
3WA0 Crystal structure of merlin complexed with DCAF1/VprBP Deposited 2013-04-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1417–1506（90 aa） Fragment：UNP residues 1417-1506
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；277 K；0.2M ammonium fluoride, 23% PEG 3350, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.31 Å R-free 0.264
3WA0 Crystal structure of merlin complexed with DCAF1/VprBP Deposited 2013-04-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1417–1506（90 aa） Fragment：UNP residues 1417-1506
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；277 K；0.2M ammonium fluoride, 23% PEG 3350, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.31 Å R-free 0.264
4P7I Crystal structure of the Merlin FERM/DCAF1 complex Deposited 2014-03-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 998–1058（61 aa） Fragment：UNP residues 998-1058
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；289 K；20% Isopropanol and 5% PEG8000
Resolution 2.60 Å R-free 0.256
4P7I Crystal structure of the Merlin FERM/DCAF1 complex Deposited 2014-03-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 998–1058（61 aa） Fragment：UNP residues 998-1058
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；289 K；20% Isopropanol and 5% PEG8000
Resolution 2.60 Å R-free 0.256
4PXW Crystal structure of human DCAF1 WD40 repeats (Q1250L) Deposited 2014-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1039–1401（363 aa）
Mutation：Q1250L UNX UNKNOWN LIGAND × 22 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；291 K；0.1 M sodium hepes, 0.2 M lithium sulfate, 25% PEG3350, pH 7.5, VAPOR DIFFUSION, temperature 291K
Resolution 1.72 Å R-free 0.219
4PXW Crystal structure of human DCAF1 WD40 repeats (Q1250L) Deposited 2014-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1039–1401（363 aa）
Mutation：Q1250L UNX UNKNOWN LIGAND × 23 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；291 K；0.1 M sodium hepes, 0.2 M lithium sulfate, 25% PEG3350, pH 7.5, VAPOR DIFFUSION, temperature 291K
Resolution 1.72 Å R-free 0.219
4Z8L Crystal structure of DCAF1/SIV-MND VPX/MND SAMHD1 NTD ternary complex Deposited 2015-04-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1057–1396（340 aa） Fragment：UNP residues 1057-1396
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；1.6 M NaH2PO4, 0.4 M K2HPO4, 0.1 M Sodium Phosphate/Citrate buffer, pH 4.2
Resolution 2.60 Å R-free 0.228
4Z8L Crystal structure of DCAF1/SIV-MND VPX/MND SAMHD1 NTD ternary complex Deposited 2015-04-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 1057–1396（340 aa） Fragment：UNP residues 1057-1396
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；1.6 M NaH2PO4, 0.4 M K2HPO4, 0.1 M Sodium Phosphate/Citrate buffer, pH 4.2
Resolution 2.60 Å R-free 0.228
5AJA Crystal structure of mandrill SAMHD1 (amino acid residues 1-114) bound to Vpx isolated from mandrill and human DCAF1 (amino acid residues 1058-1396) Deposited 2015-02-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1058–1396（339 aa） Fragment：WD40-REPEAT DOMAIN, RESIDUES 1058-1396
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 0.16 M TRISODIUM CITRATE-HCL PH 5.2, 4% PEG 6000
Resolution 2.65 Å R-free 0.227
5JK7 The X-ray structure of the DDB1-DCAF1-Vpr-UNG2 complex Deposited 2016-04-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1045–1396（352 aa） Fragment：UNP residues 1045-1396
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；289.15 K；100 mM Na Ctrate, pH 5.6, 11% PEG 20000
Resolution 3.49 Å R-free 0.206
5JK7 The X-ray structure of the DDB1-DCAF1-Vpr-UNG2 complex Deposited 2016-04-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 1045–1396（352 aa） Fragment：UNP residues 1045-1396
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；289.15 K；100 mM Na Ctrate, pH 5.6, 11% PEG 20000
Resolution 3.49 Å R-free 0.206
6N45 Crystal structure of the cryptic polo box domain of human activated Plk4 variant 1 Deposited 2018-11-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1475–1507（33 aa）
Chain B 1475–1507（33 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；4.3M Ammonium Acetate 0.1M BisTris propane pH 8.0
Resolution 2.64 Å R-free 0.314
6ZUE Crystal structure of human DDB1 bound to human DCAF1 (amino acid residues 1046-1396) Deposited 2020-07-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1046–1396（351 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；100 mM Tri-Na citrate pH 5.5 18% PEG 1000
Resolution 3.09 Å R-free 0.279
6ZX9 Crystal structure of SIV Vpr,fused to T4 lysozyme, isolated from moustached monkey, bound to human DDB1 and human DCAF1 (amino acid residues 1046-1396) Deposited 2020-07-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1046–1396（351 aa）
Not recorded GOL GLYCEROL × 8 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；8-10% PEG 4000 (w/v), 200 mM MgCl2, 100 mM HEPES-NaOH, pH 7.0-8.2.
Resolution 2.52 Å R-free 0.260
7OKQ Cryo-EM Structure of the DDB1-DCAF1-CUL4A-RBX1 Complex Deposited 2021-05-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: Hexadecameric
Chain B 2–1507（1506 aa）
Chain F 2–1507（1506 aa）
Chain J 2–1507（1506 aa）
Chain N 2–1507（1506 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 8.40 Å
7SSE Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70 Deposited 2021-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1077–1390（314 aa）
Chain B 1077–1390（314 aa）
Mutation：F1077A, R1079A Mutation：F1077A, R1079A B1I N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；30% PEG3350 ,0.1M Ammonium Sulphate, 0.1M Bis-Tris pH5.5
Resolution 1.62 Å R-free 0.234
7UFV Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 Deposited 2022-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1077–1390（314 aa）
Mutation：F1077A, R1079A N6O (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；291 K；20% PEG3350, 0.2M Potassium Fluoride
Resolution 1.90 Å R-free 0.254
7UFV Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 Deposited 2022-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1077–1390（314 aa）
Mutation：F1077A, R1079A N6O (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide × 1 UNX UNKNOWN LIGAND × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；291 K；20% PEG3350, 0.2M Potassium Fluoride
Resolution 1.90 Å R-free 0.254
7V7B CryoEM structure of DDB1-VprBP complex in ARM-up conformation Deposited 2021-08-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–1507（1507 aa）
Chain C 1–1507（1507 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.20 Å
7V7C CryoEM structure of DDB1-VprBP-Vpr-UNG2(94-313) complex Deposited 2021-08-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–1507（1507 aa）
Chain E 1–1507（1507 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.70 Å
8F8E Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound Deposited 2022-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1077–1390（314 aa）
Mutation：F1077A, R1079A XJI (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG3350, 0.2M di-Ammonium Citrate
Resolution 1.55 Å R-free 0.209
8F8E Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound Deposited 2022-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1077–1390（314 aa）
Mutation：F1077A, R1079A XJI (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG3350, 0.2M di-Ammonium Citrate
Resolution 1.55 Å R-free 0.209
8OG5 Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 Deposited 2023-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1039–1401（363 aa）
Mutation：Q1250L EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1 LQH 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M MES pH6.5, 2.13M Lithium acetate
Resolution 2.20 Å R-free 0.235
8OG6 Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 Deposited 2023-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1039–1401（363 aa）
Mutation：Q1250L LQH 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1M Tris pH 7.0, 2.13M Lithium acetate
Resolution 2.25 Å R-free 0.231
8OG7 Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 2 Deposited 2023-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1039–1401（363 aa）
Mutation：Q1250L ACT ACETATE ION × 1 EDO 1,2-ETHANEDIOL × 1 VMR (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M MES pH6.5, 2.13M Lithium acetate
Resolution 2.64 Å R-free 0.206
8OG8 Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 3 Deposited 2023-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1039–1401（363 aa）
Mutation：Q1250L VM8 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline × 2 ACT ACETATE ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M MES pH6.5, 2.13M Lithium acetate
Resolution 2.11 Å R-free 0.212
8OG9 Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 4 Deposited 2023-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1039–1401（363 aa）
Mutation：Q1250L VM3 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M MES pH6.5, 2.13M Lithium acetate
Resolution 2.94 Å R-free 0.240
8OGA Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 6 Deposited 2023-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain P 1079–1393（315 aa）
Mutation：Q1250L EDO 1,2-ETHANEDIOL × 3 DMS DIMETHYL SULFOXIDE × 2 VLW 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Tris pH 7.5, 1.66M Lithium acetate
Resolution 2.20 Å R-free 0.209
8OGB Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 8 Deposited 2023-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1039–1401（363 aa）
Mutation：Q1250L EDO 1,2-ETHANEDIOL × 1 VN5 ~{N}'-[2-[1-(4-methoxyphenyl)cyclopropyl]-7-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Tris pH 7.5, 2.13M Lithium acetate
Resolution 2.27 Å R-free 0.212
8OGC Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 11 Deposited 2023-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1039–1401（363 aa）
Mutation：Q1250L DMS DIMETHYL SULFOXIDE × 1 MG MAGNESIUM ION × 1 ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 1 VMZ 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Tris pH 7.5, 2.18M Lithium acetate
Resolution 2.09 Å R-free 0.202
8OO5 Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 13 Deposited 2023-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain P 1079–1393（315 aa）
Mutation：Q1250L VUF 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]ethanone × 2 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；1.91M LiSO4, 0.1M Tris pH 7.5
Resolution 2.25 Å R-free 0.220
8OOD Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 15 Deposited 2023-04-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1039–1401（363 aa）
Mutation：Q1250L MG MAGNESIUM ION × 1 ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 5 VY3 ~{N}-[2-[2-[2-[2-[2-[2-[3-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；2.13M LiSO4, 0.1M Tris pH 7.5
Resolution 1.50 Å R-free 0.186
9B9H Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40333 Deposited 2024-04-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1080–1390（311 aa） Fragment：residues 1080-1390
Not recorded A1AM2 N-{(1P)-5'-({(17E)-18-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-16-oxo-3,6,9,12-tetraoxa-15-azaoctadec-17-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；5% w/v 1-ethyl-3-methylimidazolium ethyl sulfate, 15% w/v polyethylene glycol 20,000, pH 7.9
Resolution 2.06 Å R-free 0.229
9B9T Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40407 Deposited 2024-04-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1080–1390（311 aa） Fragment：residues 1080-1390
Not recorded A1ANM N-{(1P)-5'-[(17-{(4P)-4-[(2P)-4-{[(1R)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-1H-pyrazol-1-yl}-16-oxo-3,6,9,12-tetraoxa-15-azaheptadecan-1-yl)carbamoyl]-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.1 M sodium acetate trihydrate, pH 4.6, 2.0 M sodium formate
Resolution 2.05 Å R-free 0.196
9B9W Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40792 Deposited 2024-04-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1080–1390（311 aa） Fragment：residues 1080-1390
Not recorded A1ANN (4P)-N-[(1R)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(25E)-1-{(1P)-6-fluoro-3'-[4-fluoro-2-(trifluoromethyl)benzamido]-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-1,24-dioxo-5,8,11,14,17,20-hexaoxa-2,23-diazahexacos-25-en-26-yl]-1H-pyrrole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；35% v/v tacsimate, pH 7.0
Resolution 1.92 Å R-free 0.183
9BA2 Crystal structure of the binary complex of DCAF1 and WDR5 Deposited 2024-04-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1080–1390（311 aa） Fragment：residues 1080-1390
Not recorded IMD IMIDAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.2 M imidazole, pH 7.4, 20% w/v polyethylene glycol 4,000
Resolution 2.97 Å R-free 0.266
9BHR Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound Deposited 2024-04-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1077–1390（314 aa）
Not recorded A1API (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG3350, 0.2 M Magnesium formate
Resolution 1.62 Å R-free 0.187
9BHR Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound Deposited 2024-04-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1077–1390（314 aa）
Not recorded A1API (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG3350, 0.2 M Magnesium formate
Resolution 1.62 Å R-free 0.187
9BHS Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound Deposited 2024-04-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1077–1390（314 aa）
Not recorded A1APJ (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide × 1 UNL UNKNOWN LIGAND × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；30% PEG2000 Monoethyl Ether, 0.2 M Potassium Bromide
Resolution 1.43 Å R-free 0.170
9BHS Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound Deposited 2024-04-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1077–1390（314 aa）
Not recorded A1APJ (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide × 1 UNL UNKNOWN LIGAND × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；30% PEG2000 Monoethyl Ether, 0.2 M Potassium Bromide
Resolution 1.43 Å R-free 0.170
9C1Q Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound Deposited 2024-05-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1077–1390（314 aa）
Not recorded A1ATT (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide × 1 UNX UNKNOWN LIGAND × 4 NA SODIUM ION × 2 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG3350, 0.2 M Magnesium formate
Resolution 1.80 Å R-free 0.191
9D4E Crystal structure of the human DCAF1 WDR domain in complex with OICR-41103 Deposited 2024-08-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1077–1390（314 aa）
Not recorded A1A1Q (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% w/v PEG 3350, 0.2 M di-Ammonium Citrate
Resolution 1.70 Å R-free 0.206
9D4E Crystal structure of the human DCAF1 WDR domain in complex with OICR-41103 Deposited 2024-08-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1077–1390（314 aa）
Not recorded A1A1Q (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% w/v PEG 3350, 0.2 M di-Ammonium Citrate
Resolution 1.70 Å R-free 0.206
9DLW Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-41114 Deposited 2024-09-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1080–1390（311 aa） Fragment：residues 1080-1390
Not recorded A1BAF N-{(1P)-5'-({(32E)-33-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-31-oxo-3,6,9,12,15,18,21,24,27-nonaoxa-30-azatritriacont-32-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；294 K；1.8 M Sodium phosphate monobasic monohydrate, potassium phosphate dibasic / pH 6.9
Resolution 2.07 Å R-free 0.242
9NSN Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-41059 Deposited 2025-03-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1080–1390（311 aa） Fragment：residues 1080-1390
Not recorded A1B0X N-{(1P)-5'-({(26E)-27-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-25-oxo-3,6,9,12,15,18,21-heptaoxa-24-azaheptacos-26-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；0.15 M cesium chloride, 15% PEG3350
Resolution 1.85 Å R-free 0.234
9NSO Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-41060 Deposited 2025-03-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1080–1390（311 aa） Fragment：residues 1080-1390
Not recorded A1B0Y (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(34E)-1-{(1P)-6-fluoro-3'-[4-fluoro-2-(trifluoromethyl)benzamido]-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-1,33-dioxo-5,8,11,14,17,20,23,26,29-nonaoxa-2,32-diazapentatriacont-34-en-35-yl]-1H-pyrrole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；0.1 M sodium citrate tribasic dihydrate, pH 4.2, 0.4 M potassium phosphate dibasic, 1.6 M sodium phosphate monobasic monohydrate
Resolution 1.85 Å R-free 0.218
9PLY Crystal structure of the human DCAF1 WDR domain in complex with OICR-40156 Deposited 2025-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1077–1390（314 aa）
Chain B 1077–1390（314 aa）
Not recorded A1CI0 (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(3-methoxypropyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide × 2 EDO 1,2-ETHANEDIOL × 2 UNX UNKNOWN LIGAND × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG 3350, 0.2 M Magnesium formate
Resolution 1.40 Å R-free 0.174
9Y4Q Crystal structure of the human DCAF1 WDR domain in complex with OICR-40102 Deposited 2025-09-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1077–1390（314 aa）
Chain B 1077–1390（314 aa）
Not recorded A1CR9 (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(pyrimidin-5-yl)-1H-pyrrole-3-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；3.2 M NaCl, 0.1 M Bis-Tris Propane pH 7.0
Resolution 1.48 Å R-free 0.193
9Y76 Crystal structure of the human DCAF1 WDR domain in complex with OICR-40120 Deposited 2025-09-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1077–1390（314 aa）
Not recorded A1CSX (4P,5M)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-4-yl}-1H-pyrrole-3-carboxamide × 1 UNX UNKNOWN LIGAND × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG3350, 0.2 M magnesium formate
Resolution 1.56 Å R-free 0.208
9Y76 Crystal structure of the human DCAF1 WDR domain in complex with OICR-40120 Deposited 2025-09-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1077–1390（314 aa）
Not recorded A1CSX (4P,5M)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-4-yl}-1H-pyrrole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG3350, 0.2 M magnesium formate
Resolution 1.56 Å R-free 0.208
9YDG Crystal structure of the human DCAF1 WDR domain in complex with OICR-41074 Deposited 2025-09-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1080–1390（311 aa）
Not recorded A1CU7 (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-1H-pyrrole-3-carboxamide × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% w/v PEG 3350, 0.2 M Potassium Fluoride
Resolution 1.54 Å R-free 0.218
9YDG Crystal structure of the human DCAF1 WDR domain in complex with OICR-41074 Deposited 2025-09-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1080–1390（311 aa）
Not recorded A1CU7 (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-1H-pyrrole-3-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% w/v PEG 3350, 0.2 M Potassium Fluoride
Resolution 1.54 Å R-free 0.218
9YE4 Crystal structure of the human DCAF1 WDR domain in complex with OICR-41110 Deposited 2025-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1080–1390（311 aa）
Not recorded A1CVQ (4P)-4-(4-chloro-2-fluorophenyl)-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyanoethyl]-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；25% w/v PEG 3350, 0.1 M Ammonium Sulphate, 0.1 M Bis-Tris pH 5.5
Resolution 1.74 Å R-free 0.224
9YE4 Crystal structure of the human DCAF1 WDR domain in complex with OICR-41110 Deposited 2025-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1080–1390（311 aa）
Not recorded A1CVQ (4P)-4-(4-chloro-2-fluorophenyl)-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyanoethyl]-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；25% w/v PEG 3350, 0.1 M Ammonium Sulphate, 0.1 M Bis-Tris pH 5.5
Resolution 1.74 Å R-free 0.224
9YV4 Crystal structure of the human DCAF1 WDR domain in complex with OICR-41109 Deposited 2025-10-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1080–1390（311 aa）
Not recorded A1CY9 (4P)-4-(4-chloro-2-fluorophenyl)-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyanoethyl]-5-[(1E)-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide × 1 NA SODIUM ION × 1 UNX UNKNOWN LIGAND × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；25% w/v PEG 3350, 0.2 M Magnesium Chloride, 0.1 M Tris pH 8.5
Resolution 1.60 Å R-free 0.194
9YV4 Crystal structure of the human DCAF1 WDR domain in complex with OICR-41109 Deposited 2025-10-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1080–1390（311 aa）
Not recorded A1CY9 (4P)-4-(4-chloro-2-fluorophenyl)-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyanoethyl]-5-[(1E)-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；25% w/v PEG 3350, 0.2 M Magnesium Chloride, 0.1 M Tris pH 8.5
Resolution 1.60 Å R-free 0.194
9ZL9 Crystal structure of DCAF1 in complex with SDIPTAC C7 Deposited 2025-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1077–1390（314 aa）
Chain B 1077–1390（314 aa）
Chain C 1077–1390（314 aa）
Chain D 1077–1390（314 aa）
Chain E 1077–1390（314 aa）
Chain F 1077–1390（314 aa）
Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A A1C24 (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide × 4 A1C23 (4P,4'P)-5,5'-[(1E,30E)-3,29-dioxo-7,10,13,16,19,22,25-heptaoxa-4,28-diazahentriaconta-1,30-diene-1,31-diyl]bis{N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide} × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；294.15 K；0.2 M sodium fluoride, 20% w/v PEG 3350, pH 7.3
Resolution 2.60 Å R-free 0.317
9ZLE Crystal structure of DCAF1 in complex with SDIPTAC C8 Deposited 2025-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1077–1390（314 aa）
Chain B 1077–1390（314 aa）
Chain C 1077–1390（314 aa）
Chain D 1077–1390（314 aa）
Chain E 1077–1390（314 aa）
Chain F 1077–1390（314 aa）
Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A A1C24 (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide × 4 A1C25 (4P,4'P)-5,5'-[(1E,33E)-3,32-dioxo-7,10,13,16,19,22,25,28-octaoxa-4,31-diazatetratriaconta-1,33-diene-1,34-diyl]bis{N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide} × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；294.15 K；1.0 M ammonium tartrate dibasic, 0.1 M sodium acetate trihydrate, pH 4.6
Resolution 2.55 Å R-free 0.305
9ZLG Crystal structure of DCAF1 in complex with SDIPTAC C9 Deposited 2025-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric
Chain A 1077–1390（314 aa）
Chain B 1077–1390（314 aa）
Chain C 1077–1390（314 aa）
Chain D 1077–1390（314 aa）
Chain E 1077–1390（314 aa）
Chain F 1077–1390（314 aa）
Chain G 1077–1390（314 aa）
Chain H 1077–1390（314 aa）
Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A A1C24 (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide × 4 A1C26 (4P,4'P)-5,5'-[(1E,36E)-3,35-dioxo-7,10,13,16,19,22,25,28,31-nonaoxa-4,34-diazaheptatriaconta-1,36-diene-1,37-diyl]bis{N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide} × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；294.15 K；5% w/v 1-ethyl-3-methylimidazolium acetate, 15% w/v PEG 20,000, pH 6.5
Resolution 2.30 Å R-free 0.289
9ZLI Crystal structure of DCAF1 in complex with SDIPTAC C11 Deposited 2025-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1077–1390（314 aa）
Chain B 1077–1390（314 aa）
Chain C 1077–1390（314 aa）
Chain D 1077–1390（314 aa）
Chain E 1077–1390（314 aa）
Chain F 1077–1390（314 aa）
Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A Mutation：F1077A, R1079A No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.07 Å R-free 0.278

46 other PDB entries and 60 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name VPRBP_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 2–340； UniProt 1058–1396

PROTEIN VPX

SIMIAN IMMUNODEFICIENCY VIRUS

UniProt P19508

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain B； UniProt 1–112 Not recorded PROTEIN VPRBP × 1 （Q9Y4B6） DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1 × 1 （Q9Y3Z3） PG4 TETRAETHYLENE GLYCOL × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：0.2 M MAGNESIUM CHLORIDE, 0.1 M HEPES PH 7.5, 15% PEG 400 Resolution 2.47 Å R-free 0.216

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

No other PDB entry for the same UniProt protein was found.

View Construct and Data Evidence
UniProt name VPX_SIVSP
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 8–119； UniProt 1–112

DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1

HOMO SAPIENS

UniProt Q9Y3Z3

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain C； UniProt 582–626 Fragment：RESIDUES 582-626 PROTEIN VPRBP × 1 （Q9Y4B6） PROTEIN VPX × 1 （P19508） PG4 TETRAETHYLENE GLYCOL × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：0.2 M MAGNESIUM CHLORIDE, 0.1 M HEPES PH 7.5, 15% PEG 400 Resolution 2.47 Å R-free 0.216

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 4CC9 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
2E8O Solution structure of the N-terminal SAM-domain of the SAM domain and HD domain containing protein 1 (Dendritic cell-derived IFNG-induced protein) (DCIP) (Monocyte protein 5) (MOP-5) Deposited 2007-01-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 23–118（96 aa） Fragment：SAM domain
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；296 K；Ionic strength (raw mmCIF value) 120mM；Pressure AMBIENT
NMR sample composition 1.17mM SAM DOMAIN, 20mM d-TRIS-HCL, 100mM NaCl, 1mM d-DTT, 0.02% NaN3; 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
3U1N Structure of the catalytic core of human SAMHD1 Deposited 2011-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 120–626（507 aa） Fragment：unp residues 120-626
Chain D 120–626（507 aa） Fragment：unp residues 120-626
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 2 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
Resolution 3.10 Å R-free 0.228
3U1N Structure of the catalytic core of human SAMHD1 Deposited 2011-09-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 120–626（507 aa） Fragment：unp residues 120-626
Chain C 120–626（507 aa） Fragment：unp residues 120-626
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 2 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
Resolution 3.10 Å R-free 0.228
4BZB Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core Deposited 2013-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：HD DOMAIN, RESIDUES 113-626
Chain B 113–626（514 aa） Fragment：HD DOMAIN, RESIDUES 113-626
Chain C 113–626（514 aa） Fragment：HD DOMAIN, RESIDUES 113-626
Chain D 113–626（514 aa） Fragment：HD DOMAIN, RESIDUES 113-626
Mutation：YES Mutation：YES Mutation：YES Mutation：YES DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 12 MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.4；100 MM SPG BUFFER, PH 7.4, 25% PEG 1500
Resolution 1.83 Å R-free 0.206
4BZC Crystal structure of the tetrameric dGTP-bound wild type SAMHD1 catalytic core Deposited 2013-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：HD DOMAIN, RESIDUES 113-626
Chain B 113–626（514 aa） Fragment：HD DOMAIN, RESIDUES 113-626
Chain C 113–626（514 aa） Fragment：HD DOMAIN, RESIDUES 113-626
Chain D 113–626（514 aa） Fragment：HD DOMAIN, RESIDUES 113-626
Not recorded T8T 2'-deoxyguanosine-5'-O-(1-thiotriphosphate) × 12 MN MANGANESE (II) ION × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.7；100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500
Resolution 2.88 Å R-free 0.245
4MZ7 Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase Deposited 2013-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 109–626（518 aa） Fragment：UNP residues 109-626
Chain B 109–626（518 aa） Fragment：UNP residues 109-626
Mutation：C266Y Mutation：C266Y ZN ZINC ION × 4 DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 10 MG MAGNESIUM ION × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；289 K；0.1M MES (pH 6.5), 25%(w/v) polyethylene glycol monomethyle ether 550, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Resolution 1.80 Å R-free 0.226
4Q7H Crystal structure of SAMHD1 catalytic core with GTP Deposited 2014-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 109–626（518 aa） Fragment：HD-domain, UNP residues 109-626
Chain B 109–626（518 aa） Fragment：HD-domain, UNP residues 109-626
Mutation：C266Y Mutation：C266Y ZN ZINC ION × 2 GTP GUANOSINE-5'-TRIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.2M Lithium citrate tribasic tetrahydrate, 24% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.59 Å R-free 0.248
4Q7H Crystal structure of SAMHD1 catalytic core with GTP Deposited 2014-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 109–626（518 aa） Fragment：HD-domain, UNP residues 109-626
Chain D 109–626（518 aa） Fragment：HD-domain, UNP residues 109-626
Mutation：C266Y Mutation：C266Y ZN ZINC ION × 2 GTP GUANOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.2M Lithium citrate tribasic tetrahydrate, 24% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.59 Å R-free 0.248
4QFX Crystal structure of the tetrameric dGTP/dATP-bound SAMHD1 (RN206) mutant catalytic core Deposited 2014-05-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Mutation：H206R/D207N Mutation：H206R/D207N Mutation：H206R/D207N Mutation：H206R/D207N DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 8 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M SPG, pH 6.5, 25% PEG1500, 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.20 Å R-free 0.270
4QFY Crystal structure of the tetrameric dGTP/dCTP-bound SAMHD1 (RN206) mutant catalytic core Deposited 2014-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Mutation：H206R/D207N Mutation：H206R/D207N Mutation：H206R/D207N Mutation：H206R/D207N DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 8 DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M SPG, pH 6.5, 25% PEG1500, 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.10 Å R-free 0.269
4QFZ Crystal structure of the tetrameric dGTP/dTTP-bound SAMHD1 (RN206) mutant catalytic core Deposited 2014-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Mutation：H206R/D207N Mutation：H206R/D207N Mutation：H206R/D207N Mutation：H206R/D207N DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 4 TTP THYMIDINE-5'-TRIPHOSPHATE × 8 MG MAGNESIUM ION × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M SPG, pH 6.5, 25% PEG1500, 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.30 Å R-free 0.250
4QG0 Crystal structure of the tetrameric dGTP/dUTP-bound SAMHD1 (RN206) mutant catalytic core Deposited 2014-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Mutation：H206R/D207N Mutation：H206R/D207N Mutation：H206R/D207N Mutation：H206R/D207N DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 4 DUT DEOXYURIDINE-5'-TRIPHOSPHATE × 8 MG MAGNESIUM ION × 7 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M SPG, pH 6.5, 25% PEG1500, 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.30 Å R-free 0.250
4QG1 Crystal structure of the tetrameric GTP/dATP-bound SAMHD1 (RN206) mutant catalytic core Deposited 2014-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Mutation：H206R/D207N Mutation：H206R/D207N Mutation：H206R/D207N Mutation：H206R/D207N DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 8 MG MAGNESIUM ION × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M SPG, pH 6.5, 25% PEG1500, 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.20 Å R-free 0.264
4QG2 Crystal structure of the tetrameric GTP/dATP/ATP-bound SAMHD1 (RN206) mutant catalytic core Deposited 2014-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Mutation：H206R/D207N Mutation：H206R/D207N Mutation：H206R/D207N Mutation：H206R/D207N GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M SPG, pH 6.5, 25% PEG1500, 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.25 Å R-free 0.271
4QG4 Crystal structure of the tetrameric GTP/dATP/ATP-bound SAMHD1 (H210A) mutant catalytic core Deposited 2014-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Mutation：H210A Mutation：H210A Mutation：H210A Mutation：H210A GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M SPG, pH 6.5, 25% PEG1500, 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.10 Å R-free 0.245
4RXO The structure of GTP-bound SAMHD1 Deposited 2014-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 109–626（518 aa）
Chain B 109–626（518 aa）
Not recorded ZN ZINC ION × 2 PO4 PHOSPHATE ION × 2 GTP GUANOSINE-5'-TRIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；0.2 M sodium chloride, 0.1M Na/K phosphate, and 25% w/v polyethylene glycol 1000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.60 Å R-free 0.222
4RXO The structure of GTP-bound SAMHD1 Deposited 2014-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 109–626（518 aa）
Chain D 109–626（518 aa）
Not recorded ZN ZINC ION × 2 PO4 PHOSPHATE ION × 2 GTP GUANOSINE-5'-TRIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；0.2 M sodium chloride, 0.1M Na/K phosphate, and 25% w/v polyethylene glycol 1000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.60 Å R-free 0.222
4RXP The structure of GTP-dATP-bound SAMHD1 Deposited 2014-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 109–626（518 aa）
Chain B 109–626（518 aa）
Not recorded DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 8 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；0.1 M lithium sulfate monohydrate, 0.1M sodium citrate tribasic dihydrate, and 20% w/v polyethylene glycol 1000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.10 Å R-free 0.208
4RXQ The structure of GTP-dUTP-bound SAMHD1 Deposited 2014-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 109–626（518 aa）
Chain B 109–626（518 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DUT DEOXYURIDINE-5'-TRIPHOSPHATE × 8 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；0.1 M lithium sulfate monohydrate, 0.1M sodium citrate tribasic dihydrate, and 20% w/v polyethylene glycol 1000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.10 Å R-free 0.229
4RXR The structure of GTP-dCTP-bound SAMHD1 Deposited 2014-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 109–626（518 aa）
Chain B 109–626（518 aa）
Not recorded DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 8 MG MAGNESIUM ION × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；0.1 M lithium sulfate monohydrate, 0.1M sodium citrate tribasic dihydrate, and 20% w/v polyethylene glycol 1000 , pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.12 Å R-free 0.213
4RXS The structure of GTP-dTTP-bound SAMHD1 Deposited 2014-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 109–626（518 aa）
Chain B 109–626（518 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 4 TTP THYMIDINE-5'-TRIPHOSPHATE × 8 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；0.1 M lithium sulfate monohydrate, 0.1M sodium citrate tribasic dihydrate, and 20% w/v polyethylene glycol 1000 , pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.20 Å R-free 0.222
4TNP Structural basis of cellular dNTP regulation, SAMHD1-GTP-dCTP-cCTP complex Deposited 2014-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Not recorded DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 8 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.4；298 K；SPG buffer, PEG 1500
Resolution 2.00 Å R-free 0.222
4TNQ Structural basis of cellular dNTP regulation, SAMHD1-GTP-dTTP-dTTP complex Deposited 2014-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Not recorded TTP THYMIDINE-5'-TRIPHOSPHATE × 8 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；SPG buffer, PEG 1500
Resolution 2.55 Å R-free 0.198
4TNR Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dATP complex Deposited 2014-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Not recorded DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 7 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；SPG buffer, PEG 1500
Resolution 2.75 Å R-free 0.242
4TNX Structure basis of cellular dNTP regulation, SAMHD1-GTP-dGTP complex Deposited 2014-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Not recorded DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 3PO TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；SPG buffer, PEG 1500
Resolution 2.31 Å R-free 0.226
4TNY Structural basis of cellular dNTP regulation, SAMHD1-dGTP-dATP-dGTP complex Deposited 2014-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Not recorded DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 8 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；SPG buffer, PEG 1500
Resolution 2.60 Å R-free 0.244
4TNZ Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dTTP complex Deposited 2014-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Not recorded TTP THYMIDINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 8 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；SPG buffer, PEG 1500
Resolution 2.38 Å R-free 0.243
4TO0 Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dCTP complex Deposited 2014-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Not recorded DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；SPG buffer, PEG 1500
Resolution 2.30 Å R-free 0.222
4TO1 Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP/dCTP-dCTP complex Deposited 2014-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Not recorded DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 6 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；SPG buffer, PEG 1500
Resolution 2.55 Å R-free 0.235
4TO2 Structure basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dGTP/dTTP complex Deposited 2014-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Not recorded DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 11 MG MAGNESIUM ION × 8 TTP THYMIDINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；SPG buffer, PEG 1500
Resolution 2.27 Å R-free 0.234
4TO3 Structural basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dCTP complex Deposited 2014-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Not recorded DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 8 DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 8 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；SPG buffer, PEG 1500
Resolution 2.20 Å R-free 0.204
4TO4 Structure basis of cellular dNTP regulation, SAMHD1-GTP-dGTP-dCTP complex Deposited 2014-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Not recorded DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 8 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；SPG buffer, PEG 1500
Resolution 2.10 Å R-free 0.225
4TO5 Structure basis of cellular dNTP regulation, SAMHD1-GTP-dTTP-dCTP complex Deposited 2014-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：UNP residues 113-626
Chain B 113–626（514 aa） Fragment：UNP residues 113-626
Chain C 113–626（514 aa） Fragment：UNP residues 113-626
Chain D 113–626（514 aa） Fragment：UNP residues 113-626
Not recorded DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 TTP THYMIDINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；SPG buffer, PEG 1500
Resolution 2.80 Å R-free 0.285
4TO6 Structure basis of cellular dNTP regulation, SAMHD1-dGTP-dATP-dTTP/dGTP complex Deposited 2014-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Not recorded TTP THYMIDINE-5'-TRIPHOSPHATE × 3 DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 5 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；SPG buffer, PEG 1500
Resolution 2.33 Å R-free 0.244
4ZWE Crystal structure of the dGTP-bound catalytic core of SAMHD1 T592V mutant Deposited 2015-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：residues 113-626
Chain B 113–626（514 aa） Fragment：residues 113-626
Chain C 113–626（514 aa） Fragment：residues 113-626
Chain D 113–626（514 aa） Fragment：residues 113-626
Mutation：H206R, D207N, T592V Mutation：H206R, D207N, T592V Mutation：H206R, D207N, T592V Mutation：H206R, D207N, T592V DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 12 MG MAGNESIUM ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.4；298 K；SPG buffer, PEG 1500
Resolution 2.81 Å R-free 0.248
4ZWE Crystal structure of the dGTP-bound catalytic core of SAMHD1 T592V mutant Deposited 2015-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 113–626（514 aa） Fragment：residues 113-626
Chain D 113–626（514 aa） Fragment：residues 113-626
Mutation：H206R, D207N, T592V Mutation：H206R, D207N, T592V DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 7 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.4；298 K；SPG buffer, PEG 1500
Resolution 2.81 Å R-free 0.248
4ZWE Crystal structure of the dGTP-bound catalytic core of SAMHD1 T592V mutant Deposited 2015-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 113–626（514 aa） Fragment：residues 113-626
Chain C 113–626（514 aa） Fragment：residues 113-626
Mutation：H206R, D207N, T592V Mutation：H206R, D207N, T592V DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 6 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.4；298 K；SPG buffer, PEG 1500
Resolution 2.81 Å R-free 0.248
4ZWE Crystal structure of the dGTP-bound catalytic core of SAMHD1 T592V mutant Deposited 2015-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 113–626（514 aa） Fragment：residues 113-626
Chain C 113–626（514 aa） Fragment：residues 113-626
Mutation：H206R, D207N, T592V Mutation：H206R, D207N, T592V DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 5 MG MAGNESIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.4；298 K；SPG buffer, PEG 1500
Resolution 2.81 Å R-free 0.248
4ZWE Crystal structure of the dGTP-bound catalytic core of SAMHD1 T592V mutant Deposited 2015-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 113–626（514 aa） Fragment：residues 113-626
Chain D 113–626（514 aa） Fragment：residues 113-626
Mutation：H206R, D207N, T592V Mutation：H206R, D207N, T592V DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 6 MG MAGNESIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.4；298 K；SPG buffer, PEG 1500
Resolution 2.81 Å R-free 0.248
4ZWG Crystal structure of the GTP-dATP-bound catalytic core of SAMHD1 phosphomimetic T592E mutant Deposited 2015-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa） Fragment：residues 113-626
Chain B 113–626（514 aa） Fragment：residues 113-626
Chain C 113–626（514 aa） Fragment：residues 113-626
Chain D 113–626（514 aa） Fragment：residues 113-626
Mutation：H206R, D207N, T592E Mutation：H206R, D207N, T592E Mutation：H206R, D207N, T592E Mutation：H206R, D207N, T592E DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 8 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.4；298 K；SPG buffer, PEG 1500
Resolution 2.30 Å R-free 0.246
4ZWG Crystal structure of the GTP-dATP-bound catalytic core of SAMHD1 phosphomimetic T592E mutant Deposited 2015-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 113–626（514 aa） Fragment：residues 113-626
Chain D 113–626（514 aa） Fragment：residues 113-626
Mutation：H206R, D207N, T592E Mutation：H206R, D207N, T592E DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.4；298 K；SPG buffer, PEG 1500
Resolution 2.30 Å R-free 0.246
4ZWG Crystal structure of the GTP-dATP-bound catalytic core of SAMHD1 phosphomimetic T592E mutant Deposited 2015-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 113–626（514 aa） Fragment：residues 113-626
Chain C 113–626（514 aa） Fragment：residues 113-626
Mutation：H206R, D207N, T592E Mutation：H206R, D207N, T592E DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；pH 7.4；298 K；SPG buffer, PEG 1500
Resolution 2.30 Å R-free 0.246
5AO0 Crystal structure of human SAMHD1 (amino acid residues 41-583) bound to ddGTP Deposited 2015-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 41–583（543 aa） Fragment：RESIDUES 41-583
Chain B 41–583（543 aa） Fragment：RESIDUES 41-583
Not recorded FE FE (III) ION × 4 DG3 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE × 8 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions 160 MM SUCCINIC ACID, 11% PEG 3350, PH 7
Resolution 3.73 Å R-free 0.268
5AO1 Crystal structure of human SAMHD1 (amino acid residues 115-583) bound to ddGTP Deposited 2015-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 115–583（469 aa） Fragment：UNP RESIDUES 115-583
Chain B 115–583（469 aa） Fragment：UNP RESIDUES 115-583
Chain C 115–583（469 aa） Fragment：UNP RESIDUES 115-583
Chain D 115–583（469 aa） Fragment：UNP RESIDUES 115-583
Not recorded FE FE (III) ION × 4 DG3 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE × 8 SO4 SULFATE ION × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions 100 MM BIS TRIS PROPANE-HCL, 150 MM NA2SO4, 13.5% PEG 3350 PH 6.5
Resolution 2.54 Å R-free 0.220
5AO2 Crystal structure of human SAMHD1 (amino acid residues 115-583) R164A variant bound to dGTP Deposited 2015-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 115–583（469 aa） Fragment：UNP RESIDUES 115-583
Chain B 115–583（469 aa） Fragment：UNP RESIDUES 115-583
Chain C 115–583（469 aa） Fragment：UNP RESIDUES 115-583
Chain D 115–583（469 aa） Fragment：UNP RESIDUES 115-583
Mutation：YES Mutation：YES Mutation：YES Mutation：YES FE FE (III) ION × 4 DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions 0.2 M SODIUM CITRATE, 0.1 M BIS TRIS PROPANE-HCL, 20% PEG 3350, PH 8.5
Resolution 2.97 Å R-free 0.234
5AO3 Crystal structure of human SAMHD1 (amino acid residues 115-626) bound to GTP Deposited 2015-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 115–626（512 aa） Fragment：UNP RESIDUES 115-626
Chain B 115–626（512 aa） Fragment：UNP RESIDUES 115-626
Chain C 115–626（512 aa） Fragment：UNP RESIDUES 115-626
Chain D 115–626（512 aa） Fragment：UNP RESIDUES 115-626
Not recorded FE FE (III) ION × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 SO4 SULFATE ION × 11 X-RAY DIFFRACTION
X-ray crystallization conditions 0.2 M AMMONIUM SULPHATE, 20% PEG 3350
Resolution 3.00 Å R-free 0.247
5AO4 Crystal structure of in vitro phosphorylated human SAMHD1 (amino acid residues 115-626) bound to GTP Deposited 2015-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 115–626（512 aa） Fragment：RESIDUES 115-626
Chain B 115–626（512 aa） Fragment：RESIDUES 115-626
Chain C 115–626（512 aa） Fragment：RESIDUES 115-626
Chain D 115–626（512 aa） Fragment：RESIDUES 115-626
Not recorded FE FE (III) ION × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions 0.2 M SODIUM FORMATE, 20% PEG 3350
Resolution 3.70 Å R-free 0.308
6CM2 SAMHD1 HD domain bound to decitabine triphosphate Deposited 2018-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Mutation：H94R, D95N Mutation：H94R, D95N Mutation：H94R, D95N Mutation：H94R, D95N F6G 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one × 8 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH MODE；298 K；SPG buffer, PEG 1500
Resolution 2.14 Å R-free 0.225
6DW3 SAMHD1 Bound to Cytarabine-TP in the Catalytic Pocket Deposited 2018-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N HF4 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 8 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；298 K；100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500
Resolution 2.20 Å R-free 0.228
6DW4 SAMHD1 Bound to Cladribine-TP in the Catalytic Pocket and Allosteric Pocket Deposited 2018-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N HF7 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate) × 8 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 8 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；298 K；100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500
Resolution 1.99 Å R-free 0.202
6DW5 SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket Deposited 2018-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N GTF 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate) × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 10 NA SODIUM ION × 4 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；298 K；100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500
Resolution 1.93 Å R-free 0.205
6DW7 SAMHD1 without Catalytic Nucleotides Deposited 2018-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 GLY GLYCINE × 2 NA SODIUM ION × 3 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；298 K；100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500
Resolution 2.50 Å R-free 0.250
6DWD SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket Deposited 2018-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N HDV 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine × 8 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 10 NA SODIUM ION × 23 GLY GLYCINE × 7 SIN SUCCINIC ACID × 2 PO4 PHOSPHATE ION × 1 TCE 3,3',3''-phosphanetriyltripropanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；298 K；100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500
Resolution 1.70 Å R-free 0.202
6DWJ SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket Deposited 2018-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N HEJ 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 10 NA SODIUM ION × 17 GLY GLYCINE × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；298 K；100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500
Resolution 2.50 Å R-free 0.208
6DWK SAMHD1 Bound to Fludarabine-TP in the Catalytic Pocket Deposited 2018-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N Mutation：H206R, D207N HFD 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 9 NA SODIUM ION × 23 GLY GLYCINE × 12 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；298 K；100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500
Resolution 2.30 Å R-free 0.212
6TX0 Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mg Deposited 2020-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 109–626（518 aa）
Chain B 109–626（518 aa）
Mutation：D137N Mutation：D137N FE FE (III) ION × 4 MG MAGNESIUM ION × 12 DZ4 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine × 8 CZF [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 16% (w/v) PEG 3350
Resolution 2.01 Å R-free 0.228
6TXA Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg Deposited 2020-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 109–626（518 aa）
Chain B 109–626（518 aa）
Chain C 109–626（518 aa）
Chain D 109–626（518 aa）
Mutation：D137N Mutation：D137N Mutation：D137N Mutation：D137N FE FE (III) ION × 4 MG MAGNESIUM ION × 12 XG4 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine × 8 CZF [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 4 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 15% (w/v) PEG 3350, 0.15 M Li2SO4.
Resolution 2.85 Å R-free 0.212
6TXA Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg Deposited 2020-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 109–626（518 aa）
Chain F 109–626（518 aa）
Chain G 109–626（518 aa）
Chain H 109–626（518 aa）
Mutation：D137N Mutation：D137N Mutation：D137N Mutation：D137N FE FE (III) ION × 4 MG MAGNESIUM ION × 12 XG4 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine × 8 CZF [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 4 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 15% (w/v) PEG 3350, 0.15 M Li2SO4.
Resolution 2.85 Å R-free 0.212
6TXA Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg Deposited 2020-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain I 109–626（518 aa）
Chain J 109–626（518 aa）
Chain K 109–626（518 aa）
Chain L 109–626（518 aa）
Mutation：D137N Mutation：D137N Mutation：D137N Mutation：D137N FE FE (III) ION × 4 MG MAGNESIUM ION × 12 XG4 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine × 8 CZF [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 4 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 15% (w/v) PEG 3350, 0.15 M Li2SO4.
Resolution 2.85 Å R-free 0.212
6TXA Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg Deposited 2020-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain M 109–626（518 aa）
Chain N 109–626（518 aa）
Chain O 109–626（518 aa）
Chain P 109–626（518 aa）
Mutation：D137N Mutation：D137N Mutation：D137N Mutation：D137N FE FE (III) ION × 4 MG MAGNESIUM ION × 12 XG4 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine × 8 CZF [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 4 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 15% (w/v) PEG 3350, 0.15 M Li2SO4.
Resolution 2.85 Å R-free 0.212
6TXC Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dCMPNPP and Mg Deposited 2020-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 109–626（518 aa）
Chain B 109–626（518 aa）
Chain C 109–626（518 aa）
Chain D 109–626（518 aa）
Not recorded FE FE (III) ION × 4 MG MAGNESIUM ION × 12 0KX 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 SO4 SULFATE ION × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCL pH 6, 17% (w/v) PEG 3350, 0.15 M Li2SO4.
Resolution 2.84 Å R-free 0.249
6TXC Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dCMPNPP and Mg Deposited 2020-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 109–626（518 aa）
Chain F 109–626（518 aa）
Chain G 109–626（518 aa）
Chain H 109–626（518 aa）
Not recorded FE FE (III) ION × 4 MG MAGNESIUM ION × 9 0KX 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 SO4 SULFATE ION × 1 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCL pH 6, 17% (w/v) PEG 3350, 0.15 M Li2SO4.
Resolution 2.84 Å R-free 0.249
6TXC Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dCMPNPP and Mg Deposited 2020-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain I 109–626（518 aa）
Chain J 109–626（518 aa）
Chain K 109–626（518 aa）
Chain L 109–626（518 aa）
Not recorded FE FE (III) ION × 4 MG MAGNESIUM ION × 11 0KX 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 SO4 SULFATE ION × 3 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCL pH 6, 17% (w/v) PEG 3350, 0.15 M Li2SO4.
Resolution 2.84 Å R-free 0.249
6TXC Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dCMPNPP and Mg Deposited 2020-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain M 109–626（518 aa）
Chain N 109–626（518 aa）
Chain O 109–626（518 aa）
Chain P 109–626（518 aa）
Not recorded FE FE (III) ION × 4 MG MAGNESIUM ION × 10 0KX 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 SO4 SULFATE ION × 1 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCL pH 6, 17% (w/v) PEG 3350, 0.15 M Li2SO4.
Resolution 2.84 Å R-free 0.249
6TXE Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dTMPNPP and Mg Deposited 2020-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 109–626（518 aa）
Chain B 109–626（518 aa）
Chain C 109–626（518 aa）
Chain D 109–626（518 aa）
Not recorded FE FE (III) ION × 4 MG MAGNESIUM ION × 8 1FZ 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 19% (w/v) PEG 3350, 0.15 M Li2SO4
Resolution 3.19 Å R-free 0.252
6TXE Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dTMPNPP and Mg Deposited 2020-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 109–626（518 aa）
Chain F 109–626（518 aa）
Chain G 109–626（518 aa）
Chain H 109–626（518 aa）
Not recorded FE FE (III) ION × 4 MG MAGNESIUM ION × 8 1FZ 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 19% (w/v) PEG 3350, 0.15 M Li2SO4
Resolution 3.19 Å R-free 0.252
6TXE Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dTMPNPP and Mg Deposited 2020-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain I 109–626（518 aa）
Chain J 109–626（518 aa）
Chain K 109–626（518 aa）
Chain L 109–626（518 aa）
Not recorded FE FE (III) ION × 4 MG MAGNESIUM ION × 8 1FZ 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 19% (w/v) PEG 3350, 0.15 M Li2SO4
Resolution 3.19 Å R-free 0.252
6TXE Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dTMPNPP and Mg Deposited 2020-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain M 109–626（518 aa）
Chain N 109–626（518 aa）
Chain O 109–626（518 aa）
Chain P 109–626（518 aa）
Not recorded FE FE (III) ION × 4 MG MAGNESIUM ION × 8 1FZ 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 19% (w/v) PEG 3350, 0.15 M Li2SO4
Resolution 3.19 Å R-free 0.252
6TXF Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mn Deposited 2020-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 109–626（518 aa）
Chain B 109–626（518 aa）
Mutation：D137N Mutation：D137N FE FE (III) ION × 4 MN MANGANESE (II) ION × 12 DZ4 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine × 8 CZF [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 14% (w/v) PEG 3350
Resolution 2.25 Å R-free 0.239
6U6X Human SAMHD1 bound to deoxyribo(C*G*C*C*T)-oligonucleotide Deposited 2019-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain A 114–626（513 aa）
Chain D 114–626（513 aa）
Mutation：D311A Mutation：D311A ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2 M sodium tartrate dibasic, 20% polyethylene glycol 3350
Resolution 2.58 Å R-free 0.236
6U6X Human SAMHD1 bound to deoxyribo(C*G*C*C*T)-oligonucleotide Deposited 2019-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain B 114–626（513 aa）
Chain C 114–626（513 aa）
Mutation：D311A Mutation：D311A ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2 M sodium tartrate dibasic, 20% polyethylene glycol 3350
Resolution 2.58 Å R-free 0.236
6U6Y Human SAMHD1 bound to ribo(CGCCU)-oligonucleotide Deposited 2019-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–RNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain A 114–626（513 aa）
Chain D 114–626（513 aa）
Mutation：D311A Mutation：D311A ZN ZINC ION × 2 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；20% PEG 4000, 0.6 M NaCl, 0.1 M MES:NaOH pH 6.5
Resolution 2.47 Å R-free 0.235
6U6Y Human SAMHD1 bound to ribo(CGCCU)-oligonucleotide Deposited 2019-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein–RNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain B 114–626（513 aa）
Chain C 114–626（513 aa）
Mutation：D311A Mutation：D311A ZN ZINC ION × 2 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；20% PEG 4000, 0.6 M NaCl, 0.1 M MES:NaOH pH 6.5
Resolution 2.47 Å R-free 0.235
6U6Z Human SAMHD1 bound to deoxyribo(TG*TTCA)-oligonucleotide Deposited 2019-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain A 116–626（511 aa）
Chain D 116–626（511 aa）
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.26 M sodium malonate, 20% polyethylene glycol 3350, 0.1 M bis-Tris propane pH 8.5
Resolution 2.10 Å R-free 0.206
6U6Z Human SAMHD1 bound to deoxyribo(TG*TTCA)-oligonucleotide Deposited 2019-08-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain B 116–626（511 aa）
Chain C 116–626（511 aa）
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.26 M sodium malonate, 20% polyethylene glycol 3350, 0.1 M bis-Tris propane pH 8.5
Resolution 2.10 Å R-free 0.206
6XU1 Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with GTP, dAMPNPP and Mg Deposited 2020-01-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 109–626（518 aa）
Chain B 109–626（518 aa）
Chain C 109–626（518 aa）
Chain D 109–626（518 aa）
Mutation：H215A Mutation：H215A Mutation：H215A Mutation：H215A FE FE (III) ION × 4 MG MAGNESIUM ION × 13 DZ4 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine × 8 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 15% (w/v) PEG 3350, 0.1 M MgCl2
Resolution 2.20 Å R-free 0.202
6XU1 Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with GTP, dAMPNPP and Mg Deposited 2020-01-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 109–626（518 aa）
Chain F 109–626（518 aa）
Chain G 109–626（518 aa）
Chain H 109–626（518 aa）
Mutation：H215A Mutation：H215A Mutation：H215A Mutation：H215A FE FE (III) ION × 4 MG MAGNESIUM ION × 12 DZ4 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine × 8 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 15% (w/v) PEG 3350, 0.1 M MgCl2
Resolution 2.20 Å R-free 0.202
6YOM Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dATP, dCMPNPP, Mn and Mg Deposited 2020-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 109–626（518 aa）
Chain B 109–626（518 aa）
Mutation：D137N Mutation：D137N FE FE (III) ION × 4 MN MANGANESE (II) ION × 4 MG MAGNESIUM ION × 8 0KX 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine × 4 CZF [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 15% (w/v) PEG 3350, 0.05 M MgCl2
Resolution 3.25 Å R-free 0.236
7A5Y Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with Rp-dGTP-alphaS (T8T) and Mg Deposited 2020-08-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 109–626（518 aa）
Chain B 109–626（518 aa）
Chain C 109–626（518 aa）
Chain D 109–626（518 aa）
Mutation：H215A Mutation：H215A Mutation：H215A Mutation：H215A FE FE (III) ION × 4 MG MAGNESIUM ION × 12 T8T 2'-deoxyguanosine-5'-O-(1-thiotriphosphate) × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 15% (w/v) PEG 3350, 0.15 M Li2SO4
Resolution 2.29 Å R-free 0.240
7A5Y Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with Rp-dGTP-alphaS (T8T) and Mg Deposited 2020-08-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 109–626（518 aa）
Chain F 109–626（518 aa）
Chain G 109–626（518 aa）
Chain H 109–626（518 aa）
Mutation：H215A Mutation：H215A Mutation：H215A Mutation：H215A FE FE (III) ION × 4 MG MAGNESIUM ION × 12 T8T 2'-deoxyguanosine-5'-O-(1-thiotriphosphate) × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1 M Bistris methane-HCl pH 6, 15% (w/v) PEG 3350, 0.15 M Li2SO4
Resolution 2.29 Å R-free 0.240
7LTT SAMHD1(113-626) H206R D207N R366C Deposited 2021-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Mutation：H206R, D207N, R366C Mutation：H206R, D207N, R366C Mutation：H206R, D207N, R366C Mutation：H206R, D207N, R366C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 8 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 8.2；293 K；PEG 1500, dGTP, SPG buffer, sodium chloride, magnesium chloride, TCEP
Resolution 1.90 Å R-free 0.212
7LU5 SAMHD1(113-626) H206R D207N R366H Deposited 2021-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Mutation：H206R, D207N, R366H Mutation：H206R, D207N, R366H Mutation：H206R, D207N, R366H Mutation：H206R, D207N, R366H DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 8 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 9；293 K；PEG 1500, dGTP, SPG buffer, sodium chloride, magnesium chloride
Resolution 3.57 Å R-free 0.274
7LU5 SAMHD1(113-626) H206R D207N R366H Deposited 2021-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain E 113–626（514 aa）
Chain F 113–626（514 aa）
Chain G 113–626（514 aa）
Chain H 113–626（514 aa）
Mutation：H206R, D207N, R366H Mutation：H206R, D207N, R366H Mutation：H206R, D207N, R366H Mutation：H206R, D207N, R366H DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 8 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 9；293 K；PEG 1500, dGTP, SPG buffer, sodium chloride, magnesium chloride
Resolution 3.57 Å R-free 0.274
7LU5 SAMHD1(113-626) H206R D207N R366H Deposited 2021-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain I 113–626（514 aa）
Chain J 113–626（514 aa）
Chain K 113–626（514 aa）
Chain L 113–626（514 aa）
Mutation：H206R, D207N, R366H Mutation：H206R, D207N, R366H Mutation：H206R, D207N, R366H Mutation：H206R, D207N, R366H DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 8 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 9；293 K；PEG 1500, dGTP, SPG buffer, sodium chloride, magnesium chloride
Resolution 3.57 Å R-free 0.274
7LU5 SAMHD1(113-626) H206R D207N R366H Deposited 2021-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain M 113–626（514 aa）
Chain N 113–626（514 aa）
Chain O 113–626（514 aa）
Chain P 113–626（514 aa）
Mutation：H206R, D207N, R366H Mutation：H206R, D207N, R366H Mutation：H206R, D207N, R366H Mutation：H206R, D207N, R366H DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 8 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 9；293 K；PEG 1500, dGTP, SPG buffer, sodium chloride, magnesium chloride
Resolution 3.57 Å R-free 0.274
7S2Y SAMHD1 HD domain bound to CNDAC Deposited 2021-09-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Not recorded 85T 4-amino-1-{2-cyano-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 MG MAGNESIUM ION × 8 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；298 K；100 mM succinate phosphate glycine buffer pH 7.4, 25% PEG 1500
Resolution 2.80 Å R-free 0.232
7UJN Structure of Human SAMHD1 with Non-Hydrolysable dGTP Analog Deposited 2022-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–626（626 aa）
Chain B 1–626（626 aa）
Chain C 1–626（626 aa）
Chain D 1–626（626 aa）
Not recorded T8T 2'-deoxyguanosine-5'-O-(1-thiotriphosphate) × 12 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.89 Å
8D94 SAMHD1-DNA complex Deposited 2022-06-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain A 1–626（626 aa）
Chain D 1–626（626 aa）
Not recorded FE FE (III) ION × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 7.5, 150 mM CaCl2, 20% PEG 3350, and 4% 2-methyl-2,4-pentanediol (MPD)
Resolution 2.44 Å R-free 0.243
8D94 SAMHD1-DNA complex Deposited 2022-06-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain B 1–626（626 aa）
Chain C 1–626（626 aa）
Not recorded FE FE (III) ION × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 7.5, 150 mM CaCl2, 20% PEG 3350, and 4% 2-methyl-2,4-pentanediol (MPD)
Resolution 2.44 Å R-free 0.243
8D9J SAMHD1-DNA complex Deposited 2022-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain A 1–626（626 aa）
Chain D 1–626（626 aa）
Not recorded FE FE (III) ION × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 7.5, 150 mM CaCl2, 20% PEG 3350, and 4% 2-methyl-2,4-pentanediol (MPD)
Resolution 2.82 Å R-free 0.242
8D9J SAMHD1-DNA complex Deposited 2022-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain B 1–626（626 aa）
Chain C 1–626（626 aa）
Not recorded FE FE (III) ION × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM Tris-HCl pH 7.5, 150 mM CaCl2, 20% PEG 3350, and 4% 2-methyl-2,4-pentanediol (MPD)
Resolution 2.82 Å R-free 0.242
8GB1 Crystal structure of SAMHD1 dimer bound to deoxyguanosine linked inhibitor Deposited 2023-02-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Not recorded YWI 5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine × 2 FE FE (III) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；17% PEG3350, 0.15 M Ammonium citrate pH 7.3, 293 K, 5 mg/mL, 1 uL protein + 2 uL ML. Soak 1 uL of 1 mM compound
Resolution 2.46 Å R-free 0.236
8GB1 Crystal structure of SAMHD1 dimer bound to deoxyguanosine linked inhibitor Deposited 2023-02-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Not recorded YWI 5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine × 2 FE FE (III) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；17% PEG3350, 0.15 M Ammonium citrate pH 7.3, 293 K, 5 mg/mL, 1 uL protein + 2 uL ML. Soak 1 uL of 1 mM compound
Resolution 2.46 Å R-free 0.236
8GB2 Crystal structure of Apo-SAMHD1 Deposited 2023-02-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 113–626（514 aa）
Chain D 113–626（514 aa）
Not recorded FE FE (III) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；17% PEG3350, 0.15 M Ammonium citrate pH 7.3, 293 K, 5 mg/mL, 1 uL protein + 2 uL ML.
Resolution 3.07 Å R-free 0.250
8GB2 Crystal structure of Apo-SAMHD1 Deposited 2023-02-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Not recorded FE FE (III) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293 K；17% PEG3350, 0.15 M Ammonium citrate pH 7.3, 293 K, 5 mg/mL, 1 uL protein + 2 uL ML.
Resolution 3.07 Å R-free 0.250
8QXJ Cryo-EM structure of tetrameric human SAMHD1 with dApNHpp Deposited 2023-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–626（626 aa）
Chain B 1–626（626 aa）
Chain C 1–626（626 aa）
Chain D 1–626（626 aa）
Not recorded DZ4 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine × 8 FE FE (III) ION × 4 MG MAGNESIUM ION × 12 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.65 Å
8QXK Cryo-EM structure of tetrameric human SAMHD1 State I - Tense Deposited 2023-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–626（626 aa）
Chain B 1–626（626 aa）
Chain C 1–626（626 aa）
Chain D 1–626（626 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 4 FE FE (III) ION × 4 MG MAGNESIUM ION × 12 DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 4 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.66 Å
8QXL Cryo-EM structure of tetrameric human SAMHD1 State II - Hemi-relaxed Deposited 2023-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–626（626 aa）
Chain B 1–626（626 aa）
Chain C 1–626（626 aa）
Chain D 1–626（626 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 4 FE FE (III) ION × 4 MG MAGNESIUM ION × 10 DCZ 2'-DEOXYCYTIDINE × 2 3PO TRIPHOSPHATE × 2 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.82 Å
8QXM Cryo-EM structure of tetrameric human SAMHD1 State III - Relaxed Deposited 2023-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–626（626 aa）
Chain B 1–626（626 aa）
Chain C 1–626（626 aa）
Chain D 1–626（626 aa）
Not recorded FE FE (III) ION × 4 MG MAGNESIUM ION × 10 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.94 Å
8QXN Cryo-EM structure of tetrameric human SAMHD1 State IV - Depleted relaxed Deposited 2023-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–626（626 aa）
Chain B 1–626（626 aa）
Chain C 1–626（626 aa）
Chain D 1–626（626 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 4 FE FE (III) ION × 4 MG MAGNESIUM ION × 8 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 4 DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.98 Å
8QXO Cryo-EM structure of tetrameric human SAMHD1 State V - Depleted relaxed Deposited 2023-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1–626（626 aa）
Chain B 1–626（626 aa）
Chain C 1–626（626 aa）
Chain D 1–626（626 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 4 FE FE (III) ION × 4 MG MAGNESIUM ION × 2 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 2 DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.43 Å
8TDV ssRNA bound SAMHD1 T closed Deposited 2023-07-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–RNA Homooligomer；Protein × 4 PDB declaration: hexameric
Chain A 1–626（626 aa）
Chain B 1–626（626 aa）
Chain E 1–626（626 aa）
Chain F 1–626（626 aa）
Not recorded FE FE (III) ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.44 Å
8TDW ssRNA bound SAMHD1 T open Deposited 2023-07-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–RNA Homooligomer；Protein × 4 PDB declaration: hexameric
Chain A 1–626（626 aa）
Chain B 1–626（626 aa）
Chain E 1–626（626 aa）
Chain F 1–626（626 aa）
Not recorded FE FE (III) ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.04 Å
9EC2 Crystal structure of SAMHD1 dimer bound to an inhibitor obtained from high-throughput chemical tethering to the guanine antiviral acyclovir Deposited 2024-11-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 113–626（514 aa）
Chain B 113–626（514 aa）
Chain C 113–626（514 aa）
Chain D 113–626（514 aa）
Not recorded A1BHL N-[5-({2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl}amino)-5-oxopentyl]-4,7-dibromo-3-hydroxynaphthalene-2-carboxamide × 4 FE FE (III) ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293.15 K；Apo DELTA 112- SAMHD1 crystals were obtained by the hanging drop method using 1 micro L of 5 mg/mL Delta 112-SAMHD1 (10 mM Tris-HCl pH 8.0, 150 mM NaCl, 4 mM MgCl2, 0.5 mM TCEP) and 2 L 17% PEG3350, 0.15 M Ammonium citrate pH 7.3. Drops were placed in 20 degrees C for over a week, and large crystal rods and plates were observed
Resolution 2.72 Å R-free 0.234
9HIW Cryo-EM structure of CDK2-cyclin A bound to a SAMHD1 peptide Deposited 2024-11-27 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 614–626（13 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å

75 other PDB entries and 105 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SAMH1_HUMAN
Isoform —
PDB entities 3
Chains and sequence ranges Author chain C； PDBConstruct 27–71； UniProt 582–626

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 4cc9

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4cc9
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4cc9
Deposition date deposition_date2013-10-19
Structure title titleCrystal structure of human SAMHD1 (amino acid residues 582-626) bound to Vpx isolated from sooty mangabey and human DCAF1 (amino acid residues 1058-1396)
Keywords keywordsPROTEIN BINDING, HIV, SIV, RETROVIRAL RESTRICTION FACTOR, RETROVIRAL ACCESSORY PROTEIN, UBIQUITINATION, PROTEASOMAL DEGRADATION; PROTEIN BINDING
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier22.90 Å
Radius of gyration Rg (electron density) rg_electron21.99 Å
Forward intensity I(0) i041623900.00
Molecular weight molecular_weight48901.0 kDa
Excluded volume excluded_volume60725 ų
Envelope volume envelope_volume73425 ų
Hydration-shell volume shell_volume27309 ų
Envelope diameter envelope_diameter74.0 Å
Shell Rg shell_rg29.43 Å
Envelope Rg envelope_rg22.07 Å
Shape Rg shape_rg22.01 Å
Total Rg total_rg22.78 Å
Total atoms total_atoms3434
Residues n_residues424
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax72.1 Å
Rg (real space) rg_real22.78 Å
Rg uncertainty (real space) rg_real_error0.36 Å
I(0) (real space) i0_real4.1620e+07
I(0) uncertainty (real space) i0_real_error4.8830e+05
Rg (reciprocal space) rg_reciprocal22.81 Å
I(0) (reciprocal space) i0_reciprocal41620000.0000
Solution quality estimate total_estimate0.8970
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.8 Å
Skewness Skewness skewness0.206
Kurtosis Kurtosis kurtosis-0.384
Angular range angular_range— – 0.3450 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha13000000.0000
Real-space data points n_real_points66
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.891; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.991
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (6)

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7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id4cc9A00
Class class2 — Mainly Beta
Architecture architecture130 — 7 Propeller
Topology topology10 — Methylamine Dehydrogenase; Chain H
Homologous superfamily homologous superfamily10 — YVTN repeat-like/Quinoprotein amine dehydrogenase
Domain ID domain_id4cc9B00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily4730 —
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8. Citations (1)

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9. Files and Curves (10)