MolNFT v1 · #9204 · protein
Solution structure of a catalytic domain of mmp-2 complexed with sc- 74020
1HOV · Matrix metalloproteinase-2: “Solution structure of a catalytic domain of mmp-2 complexed with sc- 74020”. Solution nmr, 3 ligands (I52, ZN, CA), 1 pocket (best druggability 0.66). MolNFT v1 #9204 on GenesisL1: 3D structure, binding…
- PDB
- 1HOV
- Type
- protein
- Length
- 163 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Matrix metalloproteinase-2
- EC
- 3.4.24.24
- UniProt
- P08253
- Ligands
- I52, ZN, CA
- Pockets
- 1 · best druggability 0.66
Structure
solution nmr · 1 distinct chain · 23% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Matrix metalloproteinase-2 (EC 3.4.24.24) | protein | 163 | 23% helix, 12% strand | P08253 |
Ligands and binding sites
- I52 · N-{4-[(1-hydroxycarbamoyl-2-methyl-propyl)-(2-morpholin-4-yl-ethyl)-sulfamoyl]-4-pentyl-benzamide · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- CA · Calcium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 251 | 0.66 | 0.83 | 54 | I52 |
Compared structures
- 1HOV · Solution structure of a catalytic domain of mmp-2 complexed with sc-74020 · the same entry in another collection · chain A against A, TM-score 1.00
- P08253 · AlphaFold monomer V2.0 prediction for 72 kda type IV collagenase (P08253) · a predicted model of the same protein · chain A against A, TM-score 0.86
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 P08253
- Elsewhere: RCSB PDB 1HOV · PDBe 1HOV · UniProt P08253
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