4gvc

Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ in complex with phosphorylated Syndecan1 Peptide

Method: X-RAY DIFFRACTION Dmax: 47.1 Å Quality: GOOD

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

T-lymphoma invasion and metastasis-inducing protein 1

Homo sapiens

UniProt Q13009

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 841–930 Fragment:PDZ domain (UNP residues 841-930) Syndecan-1 × 1 (P18827) CL CHLORIDE ION × 2 ANS 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.8;291 K;0.1 M sodium acetate, 25% PEG4000, 8% isopropanol, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K Resolution 1.54 Å R-free 0.200

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.

8 other PDB entries and 14 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TIAM1_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 5–94; UniProt 841–930

Syndecan-1

OrganismNot specified

UniProt P18827

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 B; UniProt 303–310 Fragment:UNP residues 303-310 Non-standard monomer:Yes (specific site not provided by mmCIF) T-lymphoma invasion and metastasis-inducing protein 1 × 1 (Q13009) CL CHLORIDE ION × 2 ANS 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.8;291 K;0.1 M sodium acetate, 25% PEG4000, 8% isopropanol, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K Resolution 1.54 Å R-free 0.200

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.

2 other PDB entries and 3 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SDC1_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–8; UniProt 303–310

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 4gvc

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4gvc
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4gvc
Deposition date deposition_date2012-08-30
Structure title titleCrystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ in complex with phosphorylated Syndecan1 Peptide
Keywords keywords;phosphorylation, peptide conformational change, new binding pocket, scaffold signaling protein for cell adhesion and cell junction, syndecan1 P1 Tyr phosphorylation, sydencan1 N-terminal Thr dansylation, 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_guinier14.98
Radius of gyration Rg (electron density) rg_electron13.52
Forward intensity I(0) i02889060.00
Molecular weight molecular_weight11546.0 kDa
Excluded volume excluded_volume14353 ų
Envelope volume envelope_volume17035 ų
Hydration-shell volume shell_volume10961 ų
Envelope diameter envelope_diameter47.9
Shell Rg shell_rg19.01
Envelope Rg envelope_rg13.95
Shape Rg shape_rg13.45
Total Rg total_rg14.91
Total atoms total_atoms806
Residues n_residues101
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 dmax47.1
Rg (real space) rg_real14.89
Rg uncertainty (real space) rg_real_error0.27
I(0) (real space) i0_real2.8890e+06
I(0) uncertainty (real space) i0_real_error2.9600e+04
Rg (reciprocal space) rg_reciprocal14.90
I(0) (reciprocal space) i0_reciprocal2889000.0000
Solution quality estimate total_estimate0.8138
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary19.1
Skewness Skewness skewness0.166
Kurtosis Kurtosis kurtosis-0.279
Angular range angular_range— – 0.5000 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha435800.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.860; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id4gvcA00
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)