MolNFT v1 · #71295 · protein
Complex membrane type-1 matrix metalloproteinase (MT1-mmp) with tissue inhibitor of metalloproteinase-1 (timp-1)
3MA2 · Matrix metalloproteinase-14: “Complex membrane type-1 matrix metalloproteinase (MT1-mmp) with tissue inhibitor of metalloproteinase-1…”. X-ray diffraction, 2 ligands (CA, ZN), 5 pockets (best druggability 0.71). MolNFT v1 #71295 on…
- PDB
- 3MA2
- Type
- protein
- Length
- 575 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Matrix metalloproteinase-14; Metalloproteinase inhibitor 1
- EC
- 3.4.24.80
- UniProt
- P50281, P01033
- Ligands
- CA, ZN
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 25% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D | Matrix metalloproteinase-14 (EC 3.4.24.80) | protein | 171 | 27% helix, 18% strand | P50281 |
| A | Matrix metalloproteinase-14 (EC 3.4.24.80) | protein | 168 | 27% helix, 18% strand | P50281 |
| B | Metalloproteinase inhibitor 1 | protein | 117 | 22% helix, 42% strand | P01033 |
| C | Metalloproteinase inhibitor 1 | protein | 119 | 20% helix, 39% strand | P01033 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains D, A
- ZN · Zinc ion · metal · 4 copies · chains D, C, A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 622 | 0.71 | 0.79 | 76 | empty |
| 2 | 570 | 0.66 | 0.77 | 48 | empty |
| 3 | 187 | 0.62 | 0.84 | 32 | empty |
| 4 | 171 | 0.61 | 0.84 | 32 | empty |
| 5 | 124 | 0.39 | 0.74 | 21 | empty |
Interfaces
5 interfaces between chains.
- A–B · 844 Ų buried · 16 hydrogen bonds · protein-protein
- D–C · 817 Ų buried · 16 hydrogen bonds · protein-protein
- D–B · 687 Ų buried · 11 hydrogen bonds · protein-protein
- D–A · 112 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 109 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3MA2 · Complex membrane type-1 matrix metalloproteinase (MT1-MMP) with tissue inhibitor of… · the same entry in another collection · chain C against C, TM-score 1.00
- P50281 · AlphaFold monomer V2.0 prediction for matrix metalloproteinase-14 (P50281) · a predicted model of the same protein · chain A against A, TM-score 0.99
- 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 P50281
- Every structure of UniProt P01033
- Elsewhere: RCSB PDB 3MA2 · PDBe 3MA2 · UniProt P50281 · UniProt P01033
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