MolNFT v1 · #6743 · protein
Solution structure of the catalytic fragment of human collagenase-3 (mmp-13) complexed with a hydroxamic acid inhibitor
1FM1: “Solution structure of the catalytic fragment of human collagenase-3 (mmp-13) complexed with a hydroxamic acid…”. Solution nmr, 3 ligands (WAY, ZN, CA), 1 pocket (best druggability 0.54). MolNFT v1 #6743 on GenesisL1: 3D structure…
- PDB
- 1FM1
- Type
- protein
- Length
- 158 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Collagenase-3
- EC
- 3.4.24.-
- UniProt
- P45452
- Ligands
- WAY, ZN, CA
- Pockets
- 1 · best druggability 0.54
Structure
solution nmr · 1 distinct chain · 25% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Collagenase-3 (EC 3.4.24.-) | protein | 158 | 25% helix, 17% strand | P45452 |
Ligands and binding sites
- WAY · N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-benzamide · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- CA · Calcium ion · metal · 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 | 194 | 0.54 | 0.79 | 36 | ZN, WAY |
Compared structures
- 1FM1 · Solution structure of the catalytic fragment of human collagenase-3 (mmp-13) complexed… · the same entry in another collection · chain A against A, TM-score 1.00
- P45452 · AlphaFold monomer V2.0 prediction for collagenase 3 (P45452) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P45452
- Elsewhere: RCSB PDB 1FM1 · PDBe 1FM1 · UniProt P45452
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