3ua7

Crystal Structure of the Human Fyn SH3 domain in complex with a peptide from the Hepatitis C virus NS5A-protein

Method: X-RAY DIFFRACTION Dmax: 66.5 Å Quality: GOOD

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

Tyrosine-protein kinase Fyn

Homo sapiens

UniProt P06241

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 × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 81–143 Fragment:SH3 domain (UNP residues 81-143) Non-structural protein 5A × 1 (Q9YKI6) GOL GLYCEROL × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8;298 K;4 M sodium formate, 10 mM zinc chloride, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.50 Å R-free 0.231
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain D; UniProt 81–143 Fragment:SH3 domain (UNP residues 81-143) Non-structural protein 5A × 1 (Q9YKI6) ZN ZINC ION × 1 FMT FORMIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8;298 K;4 M sodium formate, 10 mM zinc chloride, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.50 Å R-free 0.231
3 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 81–143 Fragment:SH3 domain (UNP residues 81-143) No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8;298 K;4 M sodium formate, 10 mM zinc chloride, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.50 Å R-free 0.231
4 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain C; UniProt 81–143 Fragment:SH3 domain (UNP residues 81-143) ZN ZINC ION × 1 FMT FORMIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8;298 K;4 M sodium formate, 10 mM zinc chloride, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.50 Å R-free 0.231

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.

50 other PDB entries and 65 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name FYN_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 2–64; UniProt 81–143 Author chain B; PDBConstruct 2–64; UniProt 81–143 Author chain C; PDBConstruct 2–64; UniProt 81–143 Author chain D; PDBConstruct 2–64; UniProt 81–143

Non-structural protein 5A

OrganismNot specified

UniProt Q9YKI6

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 × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain E; UniProt 350–360 Fragment:Proline-rich region (UNP residues 350-360) Non-standard monomer:Yes (specific site not provided by mmCIF) Tyrosine-protein kinase Fyn × 1 (P06241) GOL GLYCEROL × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8;298 K;4 M sodium formate, 10 mM zinc chloride, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.50 Å R-free 0.231
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain F; UniProt 350–360 Fragment:Proline-rich region (UNP residues 350-360) Non-standard monomer:Yes (specific site not provided by mmCIF) Tyrosine-protein kinase Fyn × 1 (P06241) ZN ZINC ION × 1 FMT FORMIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8;298 K;4 M sodium formate, 10 mM zinc chloride, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.50 Å R-free 0.231

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 Q9YKI6_9HEPC
Isoform
PDB entities 2
Chains and sequence ranges Author chain E; PDBConstruct 2–12; UniProt 350–360 Author chain F; PDBConstruct 2–12; UniProt 350–360

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 3ua7

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3ua7
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3ua7
Deposition date deposition_date2011-10-21
Structure title titleCrystal Structure of the Human Fyn SH3 domain in complex with a peptide from the Hepatitis C virus NS5A-protein
Keywords keywordsbeta barrel, kinase, poly proline rich motif, TRANSFERASE-VIRAL PROTEIN complex; TRANSFERASE/VIRAL PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier21.13
Radius of gyration Rg (electron density) rg_electron20.13
Forward intensity I(0) i015739800.00
Molecular weight molecular_weight29601.0 kDa
Excluded volume excluded_volume36798 ų
Envelope volume envelope_volume45041 ų
Hydration-shell volume shell_volume19064 ų
Envelope diameter envelope_diameter67.6
Shell Rg shell_rg25.89
Envelope Rg envelope_rg20.26
Shape Rg shape_rg20.16
Total Rg total_rg20.89
Total atoms total_atoms2093
Residues n_residues262
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −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

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

Maximum dimension Dmax dmax66.5
Rg (real space) rg_real21.02
Rg uncertainty (real space) rg_real_error0.30
I(0) (real space) i0_real1.5740e+07
I(0) uncertainty (real space) i0_real_error2.0330e+05
Rg (reciprocal space) rg_reciprocal21.04
I(0) (reciprocal space) i0_reciprocal15740000.0000
Solution quality estimate total_estimate0.7601
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary29.4
Skewness Skewness skewness0.109
Kurtosis Kurtosis kurtosis-0.613
Angular range angular_range— – 0.3750 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha7707000.0000
Real-space data points n_real_points69
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.925; Stabil: 1.000; Sysdev: 0.368; Positv: 1.000; Valcen: 1.000; Smooth: 0.999

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (8)

7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id3ua7A00
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily40 — SH3 Domains
Domain ID domain_id3ua7B00
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily40 — SH3 Domains
Domain ID domain_id3ua7C00
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily40 — SH3 Domains
Domain ID domain_id3ua7D00
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily40 — SH3 Domains

8. Citations (1)

9. Files and Curves (10)