MolNFT v1 · #2244 · protein
Crystal structure of the MT1-mmp--timp-2 complex
1BQQ · Membrane-type matrix metalloproteinase: “Crystal structure of the MT1-mmp--timp-2 complex”. X-ray diffraction, 2 ligands (CA, ZN), 4 pockets (best druggability 0.68). MolNFT v1 #2244 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1BQQ
- Type
- protein
- Length
- 358 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Membrane-type matrix metalloproteinase; Metalloproteinase inhibitor 2
- EC
- 3.4.24.-
- UniProt
- P50281, P16368
- Ligands
- CA, ZN
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| M | Membrane-type matrix metalloproteinase (EC 3.4.24.-) | protein | 174 | 23% helix, 14% strand | P50281 |
| T | Metalloproteinase inhibitor 2 | protein | 184 | 14% helix, 26% strand | P16368 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 283 | 0.68 | 0.83 | 48 | empty |
| 2 | 81 | 0.58 | 0.87 | 18 | empty |
| 3 | 196 | 0.49 | 0.76 | 25 | empty |
| 4 | 107 | 0.43 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- M–T · 1397 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1BQQ · Crystal structure of the MT1-mmp--timp-2 complex · the same entry in another collection · chain M against M, TM-score 1.00
- P50281 · AlphaFold monomer V2.0 prediction for matrix metalloproteinase-14 (P50281) · a predicted model of the same protein · chain M against A, TM-score 0.94
- P16368 · AlphaFold monomer V2.0 prediction for metalloproteinase inhibitor 2 (P16368) · a predicted model of the same protein · chain T against A, TM-score 0.89
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 P50281
- Every structure of UniProt P16368
- Elsewhere: RCSB PDB 1BQQ · PDBe 1BQQ · UniProt P50281 · UniProt P16368
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