SAXSdb — 7a9b

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1. Protein Identity and Related Structures Protein Identity & Related Structures

SH3 and multiple ankyrin repeat domains protein 1,Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3

Homo sapiens

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Insufficient information Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 1414–1429 Chain B； UniProt 1414–1429	Not recorded	EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；100 nL of protein solution (15 mg/ml mutant protein in 10 mM HEPES buffer, pH 8.0, 150 mM NaCl, 5% (v/v) glycerol and 0.5 mM TCEP) were mixed with 100 nL reservoir buffer (16% (w/v) polyethylene glycol 3350 and 0.2 M ammonium citrate), above a reservoir volume of 20 microL	Resolution 2.00 Å R-free 0.249

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 7A9B	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2KG5 NMR Solution structure of ARAP3-SAM Deposited 2009-03-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–80（80 aa） Fragment：SAM Domain, residues 1-80	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.7；298 K；Pressure ambient NMR sample composition 1 mM protein, 2.7 mM potassium chloride, 137 mM sodium chloride, 11.9 mM phosphates, 0.3% mM sodium azide, 100% D2O \| 100% D2O NMR sample composition 1 mM [U-100% 15N] protein, 2.7 mM potassium chloride, 137 mM sodium chloride, 11.9 mM phosphates, 0.3% mM sodium azide, 95% H2O/5% D2O \| 95% H2O/5% D2O NMR sample composition 1 mM [U-100% 13C; U-100% 15N] protein, 2.7 mM potassium chloride, 137 mM sodium chloride, 11.9 mM phosphates, 0.3% mM sodium azide, 95% H2O/5% D2O \| 95% H2O/5% D2O	Resolution not provided
2LNW Identification and structural basis for a novel interaction between Vav2 and Arap3 Deposited 2012-01-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1404–1412（9 aa） Fragment：UNP RESIDUES 1404-1412	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.2；298 K；Ionic strength (raw mmCIF value) 120；Pressure ambient NMR sample composition 1 mM [U-100% 13C; U-100% 15N] entity_1-1, 3 mM entity_2-2, 5 mM potassium phosphate-3, 20 mM sodium phosphate-4, 5 mM DTT-5, 2 mM EDTA-6, 75 mM sodium chloride-7, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1 mM [U-100% 13C; U-100% 15N] entity_1-8, 3 mM entity_2-9, 5 mM potassium phosphate-10, 75 mM sodium chloride-11, 5 mM DTT-12, 2 mM EDTA-13, 20 mM sodium phosphate-14, 100% D2O \| 100% D2O	Resolution not provided
5JCP RhoGAP domain of ARAP3 in complex with RhoA in the transition state Deposited 2016-04-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 906–1107（202 aa） Fragment：UNP residues 906-1107,UNP residues 2-181	Mutation：F25N	GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 ALF TETRAFLUOROALUMINATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；100 mM MES, 15%(v/v) PEG 550 MME, 4%(v/v) Acetone	Resolution 2.10 Å R-free 0.227
5JCP RhoGAP domain of ARAP3 in complex with RhoA in the transition state Deposited 2016-04-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 906–1107（202 aa） Fragment：UNP residues 906-1107,UNP residues 2-181	Mutation：F25N	GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 ALF TETRAFLUOROALUMINATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；100 mM MES, 15%(v/v) PEG 550 MME, 4%(v/v) Acetone	Resolution 2.10 Å R-free 0.227
5JD0 crystal structure of ARAP3 RhoGAP domain Deposited 2016-04-15	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 906–1107（202 aa） Fragment：UNP residues 906-1107	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；100 mM HEPES, 10% PEG8000	Resolution 2.30 Å R-free 0.260
5JD0 crystal structure of ARAP3 RhoGAP domain Deposited 2016-04-15	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 906–1107（202 aa） Fragment：UNP residues 906-1107	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；100 mM HEPES, 10% PEG8000	Resolution 2.30 Å R-free 0.260
7YIR Crystal structure of N-terminal PH domain of ARAP3 protein from human Deposited 2022-07-18	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 284–385（102 aa） Fragment：PH1 domain	Not recorded	PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.05 M Calcium chloride dihydrate, 0.1 M BIS-TRIS (pH 6.5), 30% v/v Polyethylene glycol monomethyl ether 550	Resolution 2.10 Å R-free 0.230
7YIS Crystal structure of N-terminal PH domain of ARAP3 protein in complex with inositol 1,3,4,5-tetrakisphosphate Deposited 2022-07-18	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 284–385（102 aa） Fragment：PH1 domain	Not recorded	4PT (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY BUTOXY)PROPYL BUTYRATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate (pH 4.6), 30% v/v Polyethylene glycol 400	Resolution 3.30 Å R-free 0.276

6 other PDB entries and 8 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	ARAP3_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 125–140； UniProt 1414–1429 Author chain B； PDBConstruct 125–140； UniProt 1414–1429

SH3 and multiple ankyrin repeat domains protein 1,Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3

Homo sapiens

UniProt Q9WV48

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Insufficient information Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 654–763 Chain B； UniProt 654–763	Not recorded	EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；100 nL of protein solution (15 mg/ml mutant protein in 10 mM HEPES buffer, pH 8.0, 150 mM NaCl, 5% (v/v) glycerol and 0.5 mM TCEP) were mixed with 100 nL reservoir buffer (16% (w/v) polyethylene glycol 3350 and 0.2 M ammonium citrate), above a reservoir volume of 20 microL	Resolution 2.00 Å R-free 0.249

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 7A9B	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1Q3O Crystal structure of the Shank PDZ-ligand complex reveals a class I PDZ interaction and a novel PDZ-PDZ dimerization Deposited 2003-07-31	Different construct 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 582–690（109 aa） Fragment：PDZ domain Chain B 582–690（109 aa） Fragment：PDZ domain	Not recorded	BR BROMIDE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；294 K；PEG 20K, NaBr, Glycerol, Sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 1.80 Å R-free 0.251
1Q3P Crystal structure of the Shank PDZ-ligand complex reveals a class I PDZ interaction and a novel PDZ-PDZ dimerization Deposited 2003-07-31	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 A 582–690（109 aa） Fragment：PDZ domain Chain B 582–690（109 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；PEG 6000, KCl, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.25 Å R-free 0.280
1Q3P Crystal structure of the Shank PDZ-ligand complex reveals a class I PDZ interaction and a novel PDZ-PDZ dimerization Deposited 2003-07-31	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 582–690（109 aa） Fragment：PDZ domain Chain B 582–690（109 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；PEG 6000, KCl, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.25 Å R-free 0.280
3L4F Crystal Structure of betaPIX Coiled-Coil Domain and Shank PDZ Complex Deposited 2009-12-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain D 653–765（113 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；15% ETHANOL, 10% ETHYLENE GLYCOL, 0.1M MES-NAOH, pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.80 Å R-free 0.307
3QJM Structural flexibility of Shank PDZ domain is important for its binding to different ligands Deposited 2011-01-30	Different construct Different mutation/modification 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 654–768（115 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；294 K；100mM sodium acetate(pH 5.5-6.0), 0.8M lithium sulfate, 0.7M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.31 Å R-free 0.267
3QJM Structural flexibility of Shank PDZ domain is important for its binding to different ligands Deposited 2011-01-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 654–768（115 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；294 K；100mM sodium acetate(pH 5.5-6.0), 0.8M lithium sulfate, 0.7M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.31 Å R-free 0.267
3QJN Structural flexibility of Shank PDZ domain is important for its binding to different ligands Deposited 2011-01-30	Different construct Different mutation/modification 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 654–768（115 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；100mM MES, 12% ethanol, 10% ethylene glycol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.71 Å R-free 0.272
3QJN Structural flexibility of Shank PDZ domain is important for its binding to different ligands Deposited 2011-01-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 654–768（115 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；100mM MES, 12% ethanol, 10% ethylene glycol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.71 Å R-free 0.272
3QJN Structural flexibility of Shank PDZ domain is important for its binding to different ligands Deposited 2011-01-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 654–768（115 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；100mM MES, 12% ethanol, 10% ethylene glycol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.71 Å R-free 0.272
3QJN Structural flexibility of Shank PDZ domain is important for its binding to different ligands Deposited 2011-01-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 654–768（115 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；100mM MES, 12% ethanol, 10% ethylene glycol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.71 Å R-free 0.272
3QJN Structural flexibility of Shank PDZ domain is important for its binding to different ligands Deposited 2011-01-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 654–768（115 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；100mM MES, 12% ethanol, 10% ethylene glycol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.71 Å R-free 0.272
3QJN Structural flexibility of Shank PDZ domain is important for its binding to different ligands Deposited 2011-01-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 654–768（115 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；100mM MES, 12% ethanol, 10% ethylene glycol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.71 Å R-free 0.272
3QJN Structural flexibility of Shank PDZ domain is important for its binding to different ligands Deposited 2011-01-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 7 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 654–768（115 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；100mM MES, 12% ethanol, 10% ethylene glycol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.71 Å R-free 0.272
3QJN Structural flexibility of Shank PDZ domain is important for its binding to different ligands Deposited 2011-01-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 8 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain H 654–768（115 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；100mM MES, 12% ethanol, 10% ethylene glycol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.71 Å R-free 0.272

5 other PDB entries and 14 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	SHAN1_RAT
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 6–115； UniProt 654–763 Author chain B； PDBConstruct 6–115； UniProt 654–763

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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	7a9b
Deposition date deposition_date	2020-09-01
Structure title title	Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide
Keywords keywords	;Shank1, PDZ domain, protein-protein interaction, internal peptide binding motif, ARAP3, PROTEIN BINDING, Structural Genomics, Structural Genomics Consortium, SGC ;; PROTEIN BINDING
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	20.53 Å
Radius of gyration Rg (electron density) rg_electron	19.32 Å
Forward intensity I(0) i0	12602800.00
Molecular weight molecular_weight	26512.0 kDa
Excluded volume excluded_volume	33201 Å³
Envelope volume envelope_volume	40246 Å³
Hydration-shell volume shell_volume	17930 Å³
Envelope diameter envelope_diameter	68.6 Å
Shell Rg shell_rg	24.95 Å
Envelope Rg envelope_rg	19.41 Å
Shape Rg shape_rg	19.29 Å
Total Rg total_rg	20.28 Å
Total atoms total_atoms	1862
Residues n_residues	253
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	69.6 Å
Rg (real space) rg_real	20.46 Å
Rg uncertainty (real space) rg_real_error	0.50 Å
I(0) (real space) i0_real	1.2600e+07
I(0) uncertainty (real space) i0_real_error	1.6690e+05
Rg (reciprocal space) rg_reciprocal	20.47 Å
I(0) (reciprocal space) i0_reciprocal	12600000.0000
Solution quality estimate total_estimate	0.8833
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	22.2 Å
Skewness Skewness skewness	0.179
Kurtosis Kurtosis kurtosis	-0.563
Angular range angular_range	— – 0.3850 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	2858000.0000
Real-space data points n_real_points	70
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.831; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.999

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	SH3 and multiple ankyrin repeat domains protein 1,Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3
Molecular weight formula_weight	15061.1 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	1992

GAMGPGSDYIIKEKTVLLQKKDSEGFGFVLRGAKAQTPIEEFTPTPAFPALQYLESVDEGGVAWRAGLRMGDFLIEVNGQNVVKVGHRQVVNMIRQGGNTLMVKVVMVTRHPDMDAAAGSGSGSFPELIQDTSTSFSTTR

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	Human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	122

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7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	7a9bA01
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	42 — Pdz3 Domain
Homologous superfamily homologous superfamily	10 — PDZ domain

Domain ID domain_id	7a9bB01
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	42 — Pdz3 Domain
Homologous superfamily homologous superfamily	10 — PDZ domain

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8. Citations (1)

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Unit-cell length a length_a	67.799 Å
Unit-cell length b length_b	67.799 Å
Unit-cell length c length_c	248.967 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	24

Space group space_group	P 61 2 2
Space-group number int_tables_number	178
Crystal system crystal_system	hexagonal

Resolution resolution	2.000 Å
Low-resolution limit resolution_low	47.932 Å
R factor r_factor	0.2031
R_work r_work	0.2006
R_free r_free	0.2491

fit	/app/data/saxs_computation/a9/7a9b/7a9b.fit
pddf	/app/data/pr_computation/a9/7a9b/7a9b.pr.out
profile	/app/data/saxs_computation/a9/7a9b/7a9b.dat

Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide

1. Protein Identity and Related Structures Protein Identity & Related Structures

SH3 and multiple ankyrin repeat domains protein 1,Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3

State in the Current Structure

Other States of the Same Protein in the Database

SH3 and multiple ankyrin repeat domains protein 1,Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 water

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)