Research workbench
Crystal structure of ketosteroid isomerase P39A from pseudomonas testosteroni (tksi)
Analyse Crystal structure of ketosteroid isomerase P39A from pseudomonas testosteroni… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3MHE
- Type
- protein
- Length
- 245 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Steroid delta-isomerase
- EC
- 5.3.3.1
- UniProt
- P00947
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Steroid delta-isomerase (EC 5.3.3.1) | protein | 120 | 30% helix, 41% strand | P00947 |
| B | Steroid delta-isomerase (EC 5.3.3.1) | protein | 125 | 29% helix, 38% strand | P00947 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 233 | 0.67 | 0.84 | 25 | empty |
| 2 | 164 | 0.60 | 0.82 | 19 | empty |
| 3 | 114 | 0.57 | 0.84 | 27 | SO4 |
Interfaces
1 interface between chains.
- A–B · 971 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 3MHE · Crystal Structure of Ketosteroid Isomerase P39A from Pseudomonas Testosteroni (tKSI) · the same entry in another collection · chain A against A, TM-score 1.00
- P00947 · AlphaFold monomer V2.0 prediction for steroid delta-isomerase (P00947) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P00947
- Elsewhere: RCSB PDB 3MHE · PDBe 3MHE · UniProt P00947
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