Research workbench
Crystal structure of D103E mutant with equilenineof ksi in pseudomonas putida
Analyse Crystal structure of D103E mutant with equilenineof ksi in pseudomonas putida in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CQS
- Type
- protein
- Length
- 248 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein : ketosteroid isomerase
- EC
- 5.3.3.1
- UniProt
- P07445
- Ligands
- EQU
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein : ketosteroid isomerase (EC 5.3.3.1) | protein | 124 | 31% helix, 40% strand | P07445 |
Ligands and binding sites
- EQU · Equilenin · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 160 | 0.61 | 0.83 | 26 | EQU |
| 2 | 182 | 0.59 | 0.81 | 23 | EQU |
| 3 | 55 | 0.30 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1074 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 1CQS · Crystal structure of D103E mutant with equilenineof ksi in pseudomonas putida · the same entry in another collection · chain A against A, TM-score 1.00
- P07445 · AlphaFold monomer V2.0 prediction for steroid delta-isomerase (P07445) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 1CQS · PDBe 1CQS · UniProt P07445
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.