Research workbench
Crystal structure of ketosteroid isomerase D40N/C69S/C81S/C97S/M105C- cn from P. putida with bound equilenin
Analyse Crystal structure of ketosteroid isomerase D40N/C69S/C81S/C97S/M105C- cn from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3OWY
- Type
- protein
- Length
- 1,032 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Steroid delta-isomerase
- EC
- 5.3.3.1
- UniProt
- P07445
- Ligands
- EQU
- Pockets
- 15 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Steroid delta-isomerase (EC 5.3.3.1) | protein | 129 | 29% helix, 40% strand | P07445 |
Ligands and binding sites
- EQU · Equilenin · ligand · 6 copies · chains A, B, C, D, E, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 617 | 0.73 | 0.80 | 83 | EQU |
| 2 | 389 | 0.71 | 0.82 | 55 | empty |
| 3 | 217 | 0.65 | 0.83 | 31 | EQU |
| 4 | 208 | 0.63 | 0.83 | 29 | EQU |
| 5 | 209 | 0.63 | 0.82 | 22 | EQU |
Interfaces
13 interfaces between chains.
- A–D · 1063 Ų buried · 12 hydrogen bonds · protein-protein
- F–G · 1061 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 1057 Ų buried · 13 hydrogen bonds · protein-protein
- E–H · 1055 Ų buried · 8 hydrogen bonds · protein-protein
- C–F · 461 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (nonstandard).
Compared structures
- 3OWY · Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M105C-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 3OWY · PDBe 3OWY · UniProt P07445
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.