1jxo

Crystal Structure of the SH3-HOOK-GK Fragment of PSD-95

Method: X-RAY DIFFRACTION Dmax: 90.9 Å Quality: EXCELLENT

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

postsynaptic density protein

Rattus norvegicus

UniProt P31016

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 monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 430–724 Fragment:SH3-HOOK-GK No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.3;277 K;2-methyl-2,4-pentanediol, MES buffer, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 2.30 Å R-free 0.264
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 430–724 Fragment:SH3-HOOK-GK No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.3;277 K;2-methyl-2,4-pentanediol, MES buffer, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 2.30 Å R-free 0.264

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.

40 other PDB entries and 57 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DLG4_RAT
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 7–301; UniProt 430–724 Author chain B; PDBConstruct 7–301; UniProt 430–724

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 1jxo

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id1jxo
Deposition date deposition_date2001-09-07
Structure title titleCrystal Structure of the SH3-HOOK-GK Fragment of PSD-95
Keywords keywordsMAGUK, postsynaptic density, SH3 domain, guanylate kinase domain, structural protein; STRUCTURAL PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier28.20
Radius of gyration Rg (electron density) rg_electron27.22
Forward intensity I(0) i052840200.00
Molecular weight molecular_weight56643.0 kDa
Excluded volume excluded_volume70810 ų
Envelope volume envelope_volume93695 ų
Hydration-shell volume shell_volume28989 ų
Envelope diameter envelope_diameter94.7
Shell Rg shell_rg34.13
Envelope Rg envelope_rg26.88
Shape Rg shape_rg27.23
Total Rg total_rg27.94
Total atoms total_atoms4015
Residues n_residues525
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 dmax90.9
Rg (real space) rg_real28.15
Rg uncertainty (real space) rg_real_error0.60
I(0) (real space) i0_real5.2840e+07
I(0) uncertainty (real space) i0_real_error7.5350e+05
Rg (reciprocal space) rg_reciprocal28.17
I(0) (reciprocal space) i0_reciprocal52840000.0000
Solution quality estimate total_estimate0.9016
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary34.1
Skewness Skewness skewness0.290
Kurtosis Kurtosis kurtosis-0.337
Angular range angular_range— – 0.2800 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha5428000.0000
Real-space data points n_real_points57
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.919; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.962

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (2)

7. Fold Classification (SCOP + CATH) 10 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd1jxoa1
Class classb — All beta proteins
Fold Fold foldb.34 — SH3-like barrel
Superfamily Superfamily superfamilyb.34.2 — SH3-domain
Family Family familyb.34.2.1 — SH3-domain
Domain ID domain_idd1jxoa2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
Superfamily Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
Family Family familyc.37.1.1 — Nucleotide and nucleoside kinases
Domain ID domain_idd1jxob1
Class classb — All beta proteins
Fold Fold foldb.34 — SH3-like barrel
Superfamily Superfamily superfamilyb.34.2 — SH3-domain
Family Family familyb.34.2.1 — SH3-domain
Domain ID domain_idd1jxob2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
Superfamily Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
Family Family familyc.37.1.1 — Nucleotide and nucleoside kinases

CATH v4.4 (6 domains)

Domain ID domain_id1jxoA01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily40 — SH3 Domains
Domain ID domain_id1jxoA02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
Domain ID domain_id1jxoA03
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology63 — Guanylate Kinase phosphate binding domain
Homologous superfamily homologous superfamily10 — Guanylate Kinase phosphate binding domain
Domain ID domain_id1jxoB01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily40 — SH3 Domains
Domain ID domain_id1jxoB02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
Domain ID domain_id1jxoB03
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology63 — Guanylate Kinase phosphate binding domain
Homologous superfamily homologous superfamily10 — Guanylate Kinase phosphate binding domain

8. Citations (1)

9. Files and Curves (10)