Research workbench
Crystal structure of ketosteroid isomerase D40N/C69S/C81S/C97S/M116C- cn from P. putida with bound equilenin
Analyse Crystal structure of ketosteroid isomerase D40N/C69S/C81S/C97S/M116C- cn from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3OWS
- 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
- Ligands
- EQU
- Pockets
- 6 · best druggability 0.67
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 |
Ligands and binding sites
- EQU · Equilenin · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 193 | 0.67 | 0.85 | 22 | EQU |
| 2 | 220 | 0.65 | 0.83 | 29 | EQU |
| 3 | 245 | 0.64 | 0.82 | 30 | EQU |
| 4 | 211 | 0.64 | 0.83 | 27 | EQU |
| 5 | 59 | 0.33 | 0.77 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1083 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 1069 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 344 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (nonstandard).
Compared structures
- 3OWS · 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 3OWS · PDBe 3OWS · UniProt P07445
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.