MolNFT v1 · #187273 · protein
Complex of tissue inhibitor of metalloproteinases-1 (timp-1) mutant (L34G/M66S/E67Y/L133N/S155L) with matrix metalloproteinase-3 catalytic domain (mmp-3CD)
7S7L · Stromelysin-1: “Complex of tissue inhibitor of metalloproteinases-1 (timp-1) mutant (L34G/M66S/E67Y/L133N/S155L) with matrix…”. X-ray diffraction, 4 ligands (CA, ZN, CL), 4 pockets (best druggability 0.69). MolNFT v1 #187273 on…
- PDB
- 7S7L
- Type
- protein
- Length
- 340 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, CL, SO4
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Stromelysin-1 (EC 3.4.24.17) | protein | 165 | 26% helix, 19% strand | P08254 |
| B | Metalloproteinase inhibitor 1 | protein | 175 | 23% helix, 41% strand | P01033 |
Ligands and binding sites
- CA · Calcium ion · metal · 3 copies · chains A
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
- SO4 · Sulfate ion · ion · chains B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- GOL · Glycerol · additive · chains B
- ACT · Acetate ion · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 400 | 0.69 | 0.81 | 45 | empty |
| 2 | 411 | 0.67 | 0.79 | 58 | empty |
| 3 | 87 | 0.56 | 0.86 | 15 | empty |
| 4 | 62 | 0.32 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1044 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 7S7L · 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 7S7L · PDBe 7S7L · UniProt P08254 · UniProt P01033
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