MolNFT v1 · #16911 · protein
The F116W mutant structure of ketosteroid isomerase from comamonas testosteroni
1OCV · Steroid delta-isomerase: “The F116W mutant structure of ketosteroid isomerase from comamonas testosteroni”. X-ray diffraction, 6 pockets (best druggability 0.62). MolNFT v1 #16911 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1OCV
- Type
- protein
- Length
- 500 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Steroid delta-isomerase
- EC
- 5.3.3.1
- UniProt
- P00947
- Pockets
- 6 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Steroid delta-isomerase (EC 5.3.3.1) | protein | 125 | 29% helix, 38% strand | P00947 |
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.62 | 0.89 | 22 | empty |
| 2 | 197 | 0.60 | 0.81 | 22 | empty |
| 3 | 214 | 0.60 | 0.80 | 21 | empty |
| 4 | 218 | 0.60 | 0.80 | 23 | empty |
| 5 | 185 | 0.59 | 0.81 | 21 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1129 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 1094 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 578 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 1OCV · the F116W mutant structure of ketosteroid isomerase from Comamonas testosteroni · the same entry in another collection · chain A against A, TM-score 1.00
- P00947 · AlphaFold monomer V2.0 prediction for steroid delta-isomerase (P00947) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P00947
- Elsewhere: RCSB PDB 1OCV · PDBe 1OCV · UniProt P00947
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