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Crystal structure of ketosteroid isomerase from pseudomonas putida (pksi) bound to equilenin; D40N, Y57(CL-Y)
Analyse Crystal structure of ketosteroid isomerase from pseudomonas putida (pksi) bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5KP3
- Type
- protein
- Length
- 255 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
- P07445
- Ligands
- EQU, SO4
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Steroid delta-isomerase (EC 5.3.3.1) | protein | 127 | 31% helix, 38% strand | P07445 |
| B | Steroid delta-isomerase (EC 5.3.3.1) | protein | 128 | 30% helix, 40% strand | P07445 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 216 | 0.64 | 0.82 | 22 | EQU |
| 2 | 252 | 0.63 | 0.81 | 27 | EQU |
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 5KP3 · Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to… · 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 5KP3 · PDBe 5KP3 · UniProt P07445
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