7fsr

SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z54615640

Method: X-RAY DIFFRACTION Dmax: 110.8 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 monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 106–298 Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;100 mM Morpheus amino acids, 100 mM Morpheus buffer system 1, 43% Morpheus precipitant mix 3 Resolution 2.29 Å R-free 0.277
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 106–298 Not recorded EDO 1,2-ETHANEDIOL × 2 DGL D-GLUTAMIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;100 mM Morpheus amino acids, 100 mM Morpheus buffer system 1, 43% Morpheus precipitant mix 3 Resolution 2.29 Å R-free 0.277
3 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain C; UniProt 106–298 Not recorded EDO 1,2-ETHANEDIOL × 3 GLY GLYCINE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;100 mM Morpheus amino acids, 100 mM Morpheus buffer system 1, 43% Morpheus precipitant mix 3 Resolution 2.29 Å R-free 0.277
4 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain D; UniProt 106–298 Not recorded EDO 1,2-ETHANEDIOL × 2 DGL D-GLUTAMIC ACID × 1 GLY GLYCINE × 1 YFN N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide × 1 SO4 SULFATE ION × 3 ALA ALANINE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;100 mM Morpheus amino acids, 100 mM Morpheus buffer system 1, 43% Morpheus precipitant mix 3 Resolution 2.29 Å R-free 0.277

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 183 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 3–195; UniProt 106–298 Author chain B; PDBConstruct 3–195; UniProt 106–298 Author chain C; PDBConstruct 3–195; UniProt 106–298 Author chain D; PDBConstruct 3–195; UniProt 106–298

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 7fsr

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7fsr
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7fsr
Deposition date deposition_date2023-01-24
Structure title titleSDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z54615640
Keywords keywordsDiamond I04-1 fragment screening, PanDDA, XChemExplorer, 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_guinier35.74
Radius of gyration Rg (electron density) rg_electron35.14
Forward intensity I(0) i0114718000.00
Molecular weight molecular_weight85884.0 kDa
Excluded volume excluded_volume107850 ų
Envelope volume envelope_volume148510 ų
Hydration-shell volume shell_volume35612 ų
Envelope diameter envelope_diameter122.4
Shell Rg shell_rg41.38
Envelope Rg envelope_rg34.28
Shape Rg shape_rg35.15
Total Rg total_rg35.59
Total atoms total_atoms6005
Residues n_residues768
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 dmax110.8
Rg (real space) rg_real35.68
Rg uncertainty (real space) rg_real_error0.84
I(0) (real space) i0_real1.1470e+08
I(0) uncertainty (real space) i0_real_error1.8710e+06
Rg (reciprocal space) rg_reciprocal35.72
I(0) (reciprocal space) i0_reciprocal114700000.0000
Solution quality estimate total_estimate0.8888
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary55.4
Skewness Skewness skewness0.099
Kurtosis Kurtosis kurtosis-0.795
Angular range angular_range— – 0.2200 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha18430000.0000
Real-space data points n_real_points45
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.915; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.954; Smooth: 0.854

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (8)

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id7fsrA01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology42 — Pdz3 Domain
Homologous superfamily homologous superfamily10 — PDZ domain
Domain ID domain_id7fsrA02
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)