3v96

Complex of matrix metalloproteinase-10 catalytic domain (MMP-10cd) with tissue inhibitor of metalloproteinases-1 (TIMP-1)

Method: X-RAY DIFFRACTION Dmax: 67.7 Å Quality: GOOD

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

Metalloproteinase inhibitor 1

Homo sapiens

UniProt P01033

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 24–207 Fragment:unp residues 24-207 Mutation:N30A Stromelysin-2 × 1 (P09238) PO4 PHOSPHATE ION × 2 ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION X-ray crystallization conditions:pH 6.5;298 K;0.1 M sodium dihydrogen phosphate solution, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.90 Å R-free 0.266

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.

12 other PDB entries and 18 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TIMP1_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–184; UniProt 24–207

Stromelysin-2

Homo sapiens

UniProt P09238

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 99–263 Fragment:unp residues 99-263 Metalloproteinase inhibitor 1 × 1 (P01033) PO4 PHOSPHATE ION × 2 ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION X-ray crystallization conditions:pH 6.5;298 K;0.1 M sodium dihydrogen phosphate solution, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.90 Å R-free 0.266

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.

3 other PDB entries and 6 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MMP10_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–165; UniProt 99–263

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 3v96

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3v96
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3v96
Deposition date deposition_date2011-12-23
Structure title titleComplex of matrix metalloproteinase-10 catalytic domain (MMP-10cd) with tissue inhibitor of metalloproteinases-1 (TIMP-1)
Keywords keywordsMetzincin, OB-fold, Metalloproteinase, Protease inhibitor, HYDROLASE INHIBITOR-HYDROLASE complex; HYDROLASE INHIBITOR/HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier21.00
Radius of gyration Rg (electron density) rg_electron20.22
Forward intensity I(0) i024193000.00
Molecular weight molecular_weight37030.0 kDa
Excluded volume excluded_volume46021 ų
Envelope volume envelope_volume54126 ų
Hydration-shell volume shell_volume22202 ų
Envelope diameter envelope_diameter70.7
Shell Rg shell_rg26.95
Envelope Rg envelope_rg20.41
Shape Rg shape_rg20.20
Total Rg total_rg21.15
Total atoms total_atoms2593
Residues n_residues323
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 dmax67.7
Rg (real space) rg_real20.92
Rg uncertainty (real space) rg_real_error0.48
I(0) (real space) i0_real2.4190e+07
I(0) uncertainty (real space) i0_real_error3.3300e+05
Rg (reciprocal space) rg_reciprocal20.94
I(0) (reciprocal space) i0_reciprocal24190000.0000
Solution quality estimate total_estimate0.8136
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary25.5
Skewness Skewness skewness0.265
Kurtosis Kurtosis kurtosis-0.352
Angular range angular_range— – 0.3800 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha5434000.0000
Real-space data points n_real_points70
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.858; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 5 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd3v96a_
Class classb — All beta proteins
Fold Fold foldb.40 — OB-fold
Superfamily Superfamily superfamilyb.40.3 — TIMP-like
Family Family familyb.40.3.1 — Tissue inhibitor of metalloproteinases, TIMP
Domain ID domain_idd3v96b_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.92 — Zincin-like
Superfamily Superfamily superfamilyd.92.1 — Metalloproteases ('zincins'), catalytic domain
Family Family familyd.92.1.11 — Matrix metalloproteases, catalytic domain

CATH v4.4 (3 domains)

Domain ID domain_id3v96A01
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology370 — Tissue inhibitor of metalloproteinase-1. Chain B, domain 1
Homologous superfamily homologous superfamily10 — Tissue inhibitor of metalloproteinase-1. Chain B, domain 1
Domain ID domain_id3v96A02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily120
Domain ID domain_id3v96B00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology390 — Collagenase (Catalytic Domain)
Homologous superfamily homologous superfamily10 — Collagenase (Catalytic Domain)

8. Citations (1)

9. Files and Curves (10)