MolNFT v1 · #187274 · protein
Complex of tissue inhibitor of metalloproteinases-1 (timp-1) mutant (L34G/M66D/T98G/P131S/Q153N) with matrix metalloproteinase-3 catalytic domain (mmp-3CD)
7S7M · Stromelysin-1: “Complex of tissue inhibitor of metalloproteinases-1 (timp-1) mutant (L34G/M66D/T98G/P131S/Q153N) with matrix…”. X-ray diffraction, 2 ligands (CA, ZN), 6 pockets (best druggability 0.64). MolNFT v1 #187274 on…
- PDB
- 7S7M
- Type
- protein
- Length
- 333 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Stromelysin-1; Metalloproteinase inhibitor 1
- EC
- 3.4.24.17
- UniProt
- P08254, P01033
- Ligands
- CA, ZN
- Pockets
- 6 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Stromelysin-1 (EC 3.4.24.17) | protein | 160 | 27% helix, 20% strand | P08254 |
| B | Metalloproteinase inhibitor 1 | protein | 173 | 16% helix, 41% strand | P01033 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 194 | 0.64 | 0.84 | 27 | empty |
| 2 | 292 | 0.56 | 0.76 | 33 | empty |
| 3 | 79 | 0.55 | 0.86 | 19 | empty |
| 4 | 208 | 0.53 | 0.78 | 33 | empty |
| 5 | 129 | 0.53 | 0.81 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 994 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 7S7M · Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant… · the same entry in another collection · chain A against A, TM-score 1.00
- P01033 · AlphaFold monomer V2.0 prediction for metalloproteinase inhibitor 1 (P01033) · a predicted model of the same protein · chain B against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P08254
- Every structure of UniProt P01033
- Elsewhere: RCSB PDB 7S7M · PDBe 7S7M · UniProt P08254 · UniProt P01033
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