8aai

Crystal structure of the PDZ tandem of syntenin in complex with fragment E5

Method: X-RAY DIFFRACTION Dmax: 121.1 Å Quality: GOOD

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

Syntenin-1

Homo sapiens

UniProt O00560

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 113–273 Chain C; UniProt 113–273 Not recorded LKV (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;297 K;100mM Sodium Acetate 200mM Ammonium acetate 20% PEG 3350 Resolution 2.76 Å R-free 0.317
2 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain B; UniProt 113–273 Chain D; UniProt 113–273 Not recorded LKV (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;297 K;100mM Sodium Acetate 200mM Ammonium acetate 20% PEG 3350 Resolution 2.76 Å R-free 0.317

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.

64 other PDB entries and 185 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SDCB1_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 6–166; UniProt 113–273 Author chain B; PDBConstruct 6–166; UniProt 113–273 Author chain C; PDBConstruct 6–166; UniProt 113–273 Author chain D; PDBConstruct 6–166; UniProt 113–273

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 8aai

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8aai
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8aai
Deposition date deposition_date2022-07-01
Structure title titleCrystal structure of the PDZ tandem of syntenin in complex with fragment E5
Keywords keywordssignaling protein cell adhesion PDZ domain syntenin syndecan drug design, SIGNALING PROTEIN; SIGNALING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier36.15
Radius of gyration Rg (electron density) rg_electron36.11
Forward intensity I(0) i080972500.00
Molecular weight molecular_weight71514.0 kDa
Excluded volume excluded_volume89598 ų
Envelope volume envelope_volume123320 ų
Hydration-shell volume shell_volume30229 ų
Envelope diameter envelope_diameter120.9
Shell Rg shell_rg39.58
Envelope Rg envelope_rg35.59
Shape Rg shape_rg36.10
Total Rg total_rg36.38
Total atoms total_atoms10164
Residues n_residues648
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 dmax121.1
Rg (real space) rg_real36.40
Rg uncertainty (real space) rg_real_error1.27
I(0) (real space) i0_real8.0970e+07
I(0) uncertainty (real space) i0_real_error1.4460e+06
Rg (reciprocal space) rg_reciprocal36.25
I(0) (reciprocal space) i0_reciprocal80960000.0000
Solution quality estimate total_estimate0.8405
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary35.8
Skewness Skewness skewness0.379
Kurtosis Kurtosis kurtosis-0.681
Angular range angular_range— – 0.2200 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6607000.0000
Real-space data points n_real_points45
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.810; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.702; Smooth: 0.790

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 8 domains

CATH v4.4 (8 domains)

Domain ID domain_id8aaiA01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology42 — Pdz3 Domain
Homologous superfamily homologous superfamily10 — PDZ domain
Domain ID domain_id8aaiA02
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology42 — Pdz3 Domain
Homologous superfamily homologous superfamily10 — PDZ domain
Domain ID domain_id8aaiB01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology42 — Pdz3 Domain
Homologous superfamily homologous superfamily10 — PDZ domain
Domain ID domain_id8aaiB02
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology42 — Pdz3 Domain
Homologous superfamily homologous superfamily10 — PDZ domain
Domain ID domain_id8aaiC01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology42 — Pdz3 Domain
Homologous superfamily homologous superfamily10 — PDZ domain
Domain ID domain_id8aaiC02
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology42 — Pdz3 Domain
Homologous superfamily homologous superfamily10 — PDZ domain
Domain ID domain_id8aaiD01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology42 — Pdz3 Domain
Homologous superfamily homologous superfamily10 — PDZ domain
Domain ID domain_id8aaiD02
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology42 — Pdz3 Domain
Homologous superfamily homologous superfamily10 — PDZ domain

8. Citations (1)

9. Files and Curves (10)