Research workbench
Structure of the catalytic domain of human fibroblast stromelysin-1 inhibited with the thiadiazole inhibitor ipnu-107859, NMR, 1 structure
Analyse Structure of the catalytic domain of human fibroblast stromelysin-1 inhibited… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3USN
- Type
- protein
- Length
- 168 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
- ATT, CA, ZN
- Pockets
- 3 · best druggability 0.63
Structure
solution nmr · 1 distinct chain · 27% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Stromelysin-1 (EC 3.4.24.17) | protein | 168 | 27% helix, 12% strand | P08254 |
Ligands and binding sites
- ATT · 2-[3-(5-mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-N-methyl-3-phenyl-propionamide · ligand · chains A
- CA · Calcium ion · metal · 3 copies · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.63 | 0.89 | 26 | empty |
| 2 | 144 | 0.59 | 0.83 | 22 | empty |
| 3 | 192 | 0.54 | 0.79 | 34 | ZN, ATT |
Compared structures
- 3USN · Structure of the catalytic domain of human fibroblast stromelysin-1 inhibited with the… · the same entry in another collection · chain A against A, TM-score 1.00
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 3USN · PDBe 3USN · UniProt P08254
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.