6rlc

Crystal structure of the PDZ tandem of syntenin in complex with fragment F13

Method: X-RAY DIFFRACTION Dmax: 118.5 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 B; UniProt 113–273 Not recorded K7Z (2~{S})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid × 2 ACT ACETATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 4.6;277 K;100 mM Sodium Acetate pH 4.6, 200mM Ammonium Acetate, 22% PEG 3350 Resolution 2.20 Å R-free 0.301
2 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain C; UniProt 113–273 Chain D; UniProt 113–273 Not recorded K7Z (2~{S})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 4.6;277 K;100 mM Sodium Acetate pH 4.6, 200mM Ammonium Acetate, 22% PEG 3350 Resolution 2.20 Å R-free 0.301

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 6rlc

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6rlc
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6rlc
Deposition date deposition_date2019-05-02
Structure title titleCrystal structure of the PDZ tandem of syntenin in complex with fragment F13
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_guinier35.80
Radius of gyration Rg (electron density) rg_electron35.73
Forward intensity I(0) i082618700.00
Molecular weight molecular_weight72032.0 kDa
Excluded volume excluded_volume90130 ų
Envelope volume envelope_volume121540 ų
Hydration-shell volume shell_volume30077 ų
Envelope diameter envelope_diameter120.5
Shell Rg shell_rg39.19
Envelope Rg envelope_rg35.31
Shape Rg shape_rg35.72
Total Rg total_rg36.03
Total atoms total_atoms5041
Residues n_residues651
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 dmax118.5
Rg (real space) rg_real36.04
Rg uncertainty (real space) rg_real_error1.06
I(0) (real space) i0_real8.2620e+07
I(0) uncertainty (real space) i0_real_error1.3070e+06
Rg (reciprocal space) rg_reciprocal35.89
I(0) (reciprocal space) i0_reciprocal82610000.0000
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_primary35.0
Skewness Skewness skewness0.383
Kurtosis Kurtosis kurtosis-0.671
Angular range angular_range— – 0.2200 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6396000.0000
Real-space data points n_real_points45
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.832; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.723; Smooth: 0.703

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

8. Citations (1)

9. Files and Curves (10)