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1fiv

STRUCTURE OF AN INHIBITOR COMPLEX OF PROTEINASE FROM FELINE IMMUNODEFICIENCY VIRUS

Method: X-RAY DIFFRACTION Dmax: 49.5 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

FIV PROTEASE

Feline immunodeficiency virus

UniProt P16088

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 × 4 PDB declaration: tetrameric（4） Consistent with protein copy count Chain A； UniProt 42–154 Not recorded FIV PROTEASE INHIBITOR ACE-ALN-VAL-STA-GLU-ALN-NH2 × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions Resolution 2.00 Å

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 1FIV Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1B11 STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH TL-3-093 Deposited 1998-11-25 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 42–154（113 aa）
Not recorded SO4 SULFATE ION × 4 3TL benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；SAMPLE: 3.4MG/ML FIVPR IN 25MM IMIDAZOL BUFFER AT PH 7.0 WITH 1MM EDTA AND 10MM DTT. WELL SOLUTION: 1.6M AMMONIUM SULFATE IN SODIUM ACETATE BUFFER AT PH 4.5 MIXING SAMPLE AND WELL SOLLUTION 1:1, pH 5.0
Resolution 1.90 Å R-free 0.251
1DUT FIV DUTP PYROPHOSPHATASE Deposited 1996-09-15 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 711–843（133 aa）
Not recorded MG MAGNESIUM ION × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å R-free 0.249
1DUT FIV DUTP PYROPHOSPHATASE Deposited 1996-09-15 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain B 711–843（133 aa）
Not recorded MG MAGNESIUM ION × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å R-free 0.249
1F7D CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS Deposited 2000-06-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 711–846（136 aa） Fragment：DUTPASE
Not recorded MG MAGNESIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50mM Sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 1.40 Å R-free 0.218
1F7D CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS Deposited 2000-06-26 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 711–846（136 aa） Fragment：DUTPASE
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50mM Sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 1.40 Å R-free 0.218
1F7D CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS Deposited 2000-06-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain B 711–846（136 aa） Fragment：DUTPASE
Not recorded MG MAGNESIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50mM Sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 1.40 Å R-free 0.218
1F7K CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 711–846（136 aa） Fragment：DUTPASE
Not recorded MG MAGNESIUM ION × 6 UMP 2'-DEOXYURIDINE 5'-MONOPHOSPHATE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50 mM cacodylate and the crystals were soaked in 5 mM dUMP overnight, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.20 Å
1F7K CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27 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 711–846（136 aa） Fragment：DUTPASE
Not recorded MG MAGNESIUM ION × 1 UMP 2'-DEOXYURIDINE 5'-MONOPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50 mM cacodylate and the crystals were soaked in 5 mM dUMP overnight, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.20 Å
1F7K CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain B 711–846（136 aa） Fragment：DUTPASE
Not recorded MG MAGNESIUM ION × 3 UMP 2'-DEOXYURIDINE 5'-MONOPHOSPHATE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50 mM cacodylate and the crystals were soaked in 5 mM dUMP overnight, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.20 Å
1F7N CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 711–846（136 aa） Fragment：DUTPASE
Not recorded MG MAGNESIUM ION × 6 UMP 2'-DEOXYURIDINE 5'-MONOPHOSPHATE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50 mM Cacodylate. The crystals were soaked in 10 mM dUTP for 24 hrs, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.20 Å
1F7N CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27 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 711–846（136 aa） Fragment：DUTPASE
Not recorded MG MAGNESIUM ION × 1 UMP 2'-DEOXYURIDINE 5'-MONOPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50 mM Cacodylate. The crystals were soaked in 10 mM dUTP for 24 hrs, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.20 Å
1F7N CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain B 711–846（136 aa） Fragment：DUTPASE
Not recorded MG MAGNESIUM ION × 3 UMP 2'-DEOXYURIDINE 5'-MONOPHOSPHATE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50 mM Cacodylate. The crystals were soaked in 10 mM dUTP for 24 hrs, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.20 Å
1F7O CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 711–846（136 aa） Fragment：DUTPASE
Chain B 711–846（136 aa） Fragment：DUTPASE
Chain C 711–846（136 aa） Fragment：DUTPASE
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；1.0M Sodium citrate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.20 Å R-free 0.286
1F7P CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 711–846（136 aa） Fragment：DUTPASE
Chain B 711–846（136 aa） Fragment：DUTPASE
Chain C 711–846（136 aa） Fragment：DUTPASE
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；1.0M Sodium citrate pH 6.5. The crystals were soaked in 10 mM dUDP for 17 hrs, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.30 Å
1F7Q CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 711–846（136 aa） Fragment：DUTPASE
Chain B 711–846（136 aa） Fragment：DUTPASE
Chain C 711–846（136 aa） Fragment：DUTPASE
Not recorded DUT DEOXYURIDINE-5'-TRIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；1.0M Sodium citrate pH 6.5. The crystals were soaked in 10 mM dUDP for 24 hrs, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.26 Å
1F7R CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 711–846（136 aa） Fragment：DUTPASE
Not recorded MG MAGNESIUM ION × 3 UDP URIDINE-5'-DIPHOSPHATE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；1.25 M sodium citrate. The protein solution was incubated with 25 mM dUDP prior to crystallization experiments., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.50 Å
2FIV Crystal structure of feline immunodeficiency virus protease complexed with a substrate Deposited 1997-07-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 39–154（116 aa）
Chain B 39–154（116 aa）
Mutation：D30N Mutation：D30N SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；PROTEIN WAS CRYSTALLIZED FROM 2.0 MOLAR AMMONIUM SULFATE, 0.1 M SODIUM ACETATE PH=5.6.
Resolution 2.00 Å
2HAH The structure of FIV 12S protease in complex with TL-3 Deposited 2006-06-12 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 39–154（116 aa） Fragment：residues 39-154
Mutation：I37V, N55M, M56I, I57G, V59I, G62F, K63I, L97T, I98P, Q99V, P100N, L101I 3TL benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；281.16 K；100mM Hepes, 2.5M LiCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 281.16K
Resolution 1.70 Å R-free 0.233
3FIV CRYSTAL STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH A SUBSTRATE Deposited 1997-07-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 39–154（116 aa）
Chain B 39–154（116 aa）
Mutation：D30N Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D30N Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；PROTEIN WAS CRYSTALLIZED FROM 2.0 M AMMONIUM SULFATE, 0.1 M SODIUM ACETATE, PH=5.6. PROTEIN CONCENTRATION, 5.0 MG/ML. CRYSTALLIZATION METHOD: HANGING DROP VAPOR DIFFUSION
Resolution 1.85 Å
3OGP Crystal Structure of 6s-98S FIV Protease with Darunavir bound Deposited 2010-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–154（116 aa） Fragment：UNP residues 39-154
Chain B 39–154（116 aa） Fragment：UNP residues 39-154
Mutation：I37V, N55M, V59I, I98S, Q99V, P100N Mutation：I37V, N55M, V59I, I98S, Q99V, P100N 017 (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.70 Å R-free 0.229
3OGQ Crystal Structure of 6s-98S FIV Protease with Lopinavir bound Deposited 2010-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–154（116 aa） Fragment：UNP residues 39-154
Chain B 39–154（116 aa） Fragment：UNP residues 39-154
Mutation：I37V, N55M, V59I, I98S, Q99V, P100N Mutation：I37V, N55M, V59I, I98S, Q99V, P100N AB1 N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.279
4FIV FIV PROTEASE COMPLEXED WITH AN INHIBITOR LP-130 Deposited 1998-07-15 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 42–154（113 aa）
Not recorded LP1 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.2；pH 7.2
Resolution 1.80 Å
4MQ3 The 1.1 Angstrom Structure of Catalytic Core Domain of FIV Integrase Deposited 2013-09-15 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 904–1031（128 aa） Fragment：Catalytic Core Domain
Mutation：F1030K No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；0.2M Trimethylamine N-oxide, 0.1M Tris pH 8.5, 20% PEG MME 2000, VAPOR DIFFUSION, temperature 293K
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；293 K；0.2M Ammonium acetate, 0.1M Bis-Tris pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, temperature 293K
Resolution 1.08 Å R-free 0.176
4PA1 Crystal Structure of Catalytic Core domain of FIV Integrase Deposited 2014-04-07 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 904–1052（149 aa） Fragment：catalytic domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 4000, 200 mM MgCl2, 100 mM TrisHCl pH 8.5
Resolution 1.84 Å R-free 0.222
4PA1 Crystal Structure of Catalytic Core domain of FIV Integrase Deposited 2014-04-07 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 904–1052（149 aa） Fragment：catalytic domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 4000, 200 mM MgCl2, 100 mM TrisHCl pH 8.5
Resolution 1.84 Å R-free 0.222
4PA1 Crystal Structure of Catalytic Core domain of FIV Integrase Deposited 2014-04-07 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 904–1052（149 aa） Fragment：catalytic domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 4000, 200 mM MgCl2, 100 mM TrisHCl pH 8.5
Resolution 1.84 Å R-free 0.222
5FIV STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR Deposited 1998-12-02 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 42–154（113 aa）
Not recorded 3TL benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；SAMPLE: 3.4MG/ML V59I IN 25MM IMIDAZOL BUFFER AT PH 7.0 WITH 1MM EDTA AND 10MM DTT. WELL SOLUTION: 1.6M AMMONIUM SULFATE IN SODIUM ACETATE BUFFER AT PH 4.5 MIXING SAMPLE AND WELL SOLLUTION 1:1, pH 5.0
Resolution 1.90 Å R-free 0.240
6FIV STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR Deposited 1998-12-02 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 42–154（113 aa）
Not recorded SO4 SULFATE ION × 2 3TL benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；SAMPLE: 3.4MG/ML Q99V IN 25MM IMIDAZOL BUFFER AT PH 7.0 WITH 1MM EDTA AND 10MM DTT. WELL SOLUTION: 1.6M AMMONIUM SULFATE IN SODIUM ACETATE BUFFER AT PH 4.5 MIXING SAMPLE AND WELL SOLLUTION 1:1, pH 5.0
Resolution 1.90 Å R-free 0.266

19 other PDB entries and 28 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name POL_FIVPE
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–113； UniProt 42–154

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 1fiv

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1fiv
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1fiv
Deposition date deposition_date1995-05-04
Structure title titleSTRUCTURE OF AN INHIBITOR COMPLEX OF PROTEINASE FROM FELINE IMMUNODEFICIENCY VIRUS
Keywords keywordsACID PROTEINASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR
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_guinier15.36 Å
Radius of gyration Rg (electron density) rg_electron13.96 Å
Forward intensity I(0) i03621700.00
Molecular weight molecular_weight13672.0 kDa
Excluded volume excluded_volume17293 ų
Envelope volume envelope_volume19888 ų
Hydration-shell volume shell_volume12121 ų
Envelope diameter envelope_diameter47.8 Å
Shell Rg shell_rg19.70 Å
Envelope Rg envelope_rg14.37 Å
Shape Rg shape_rg13.92 Å
Total Rg total_rg15.32 Å
Total atoms total_atoms961
Residues n_residues115
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 dmax49.5 Å
Rg (real space) rg_real15.27 Å
Rg uncertainty (real space) rg_real_error0.22 Å
I(0) (real space) i0_real3.6220e+06
I(0) uncertainty (real space) i0_real_error3.6640e+04
Rg (reciprocal space) rg_reciprocal15.28 Å
I(0) (reciprocal space) i0_reciprocal3622000.0000
Solution quality estimate total_estimate0.8827
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary18.2 Å
Skewness Skewness skewness0.196
Kurtosis Kurtosis kurtosis-0.335
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha865000.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.828; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.991
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd1fiva_
Class classb — All beta proteins
Fold Fold foldb.50 — Acid proteases
Superfamily Superfamily superfamilyb.50.1 — Acid proteases
Family Family familyb.50.1.1 — Retroviral protease (retropepsin)

CATH v4.4 (1 domains)

Domain ID domain_id1fivA00
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology70 — Cathepsin D, subunit A; domain 1
Homologous superfamily homologous superfamily10 — Acid Proteases
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8. Citations (1)

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9. Files and Curves (10)