MolNFT v1 · #24177 · protein
Stromelysin-1 catalytic domain with hydrophobic inhibitor bound, pH 7.0, 32OC, 20 mm CACL2, 15% acetonitrile; NMR average of 20 structures minimized with restraints
1UMT: “Stromelysin-1 catalytic domain with hydrophobic inhibitor bound, pH 7.0, 32OC, 20 mm CACL2, 15% acetonitrile…”. Solution nmr, 3 ligands (0DS, ZN, CA), 1 pocket (best druggability 0.42). MolNFT v1 #24177 on GenesisL1: 3D structure…
- PDB
- 1UMT
- Type
- protein
- Length
- 166 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Stromelysin-1
- EC
- 3.4.24.17
- UniProt
- P08254
- Ligands
- 0DS, ZN, CA
- Pockets
- 1 · best druggability 0.42
Structure
solution nmr · 1 distinct chain · 25% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Stromelysin-1 (EC 3.4.24.17) | protein | 166 | 25% helix, 10% strand | P08254 |
Ligands and binding sites
- 0DS · N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.42 | 0.81 | 17 | 0DS |
Compared structures
- 1UMT · Stromelysin-1 catalytic domain with hydrophobic inhibitor bound, ph 7.0, 32oc, 20 mm… · the same entry in another collection · chain A against A, TM-score 1.00
- P08254 · AlphaFold monomer V2.0 prediction for stromelysin-1 (P08254) · a predicted model of the same protein · chain A against A, TM-score 0.77
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
- Elsewhere: RCSB PDB 1UMT · PDBe 1UMT · UniProt P08254
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