MolNFT v1 · #74455 · protein
Crystal structure of ketosteroid isomerase D40N/C69S/C81S/C97S/M116C- cn from P. putida
3OXA · Steroid delta-isomerase: “Crystal structure of ketosteroid isomerase D40N/C69S/C81S/C97S/M116C- cn from P. putida”. X-ray diffraction, 5 pockets (best druggability 0.83). MolNFT v1 #74455 on GenesisL1: 3D structure, binding sites…
- PDB
- 3OXA
- Type
- protein
- Length
- 512 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
- P07445
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Steroid delta-isomerase (EC 5.3.3.1) | protein | 129 | 30% helix, 40% strand | P07445 |
| C, D | Steroid delta-isomerase (EC 5.3.3.1) | protein | 127 | 31% helix, 40% strand | P07445 |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1085 | 0.83 | 0.84 | 73 | empty |
| 2 | 198 | 0.67 | 0.85 | 24 | empty |
| 3 | 200 | 0.67 | 0.85 | 24 | empty |
| 4 | 77 | 0.34 | 0.75 | 16 | empty |
| 5 | 52 | 0.30 | 0.76 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1068 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 1063 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 762 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (nonstandard).
Compared structures
- 3OXA · Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M116C-CN from P. putida · 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 P07445
- Elsewhere: RCSB PDB 3OXA · PDBe 3OXA · UniProt P07445
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