Research workbench
Crystal structure of ketosteroid isomerase D40N/C69S/C81S/C97S/F86C-cn from P. putida
Analyse Crystal structure of ketosteroid isomerase D40N/C69S/C81S/C97S/F86C-cn from P.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3OX9
- Type
- protein
- Length
- 516 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
- 7 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Steroid delta-isomerase (EC 5.3.3.1) | protein | 129 | 30% helix, 40% strand | P07445 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 246 | 0.68 | 0.84 | 30 | empty |
| 2 | 238 | 0.67 | 0.84 | 29 | empty |
| 3 | 256 | 0.67 | 0.83 | 29 | empty |
| 4 | 220 | 0.66 | 0.84 | 28 | empty |
| 5 | 83 | 0.35 | 0.76 | 19 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1073 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1065 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 242 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 228 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 180 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (nonstandard).
Compared structures
- 3OX9 · Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida · the same entry in another collection · chain B against B, 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 3OX9 · PDBe 3OX9 · UniProt P07445
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