Research workbench
Multi-conformer model of ketosteroid isomerase from pseudomonas putida (pksi) bound to 4-androstenedione at 250 K
Analyse Multi-conformer model of ketosteroid isomerase from pseudomonas putida (pksi)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6UCY
- Type
- protein
- Length
- 259 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
- ASD, MG, CL
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Steroid delta-isomerase (EC 5.3.3.1) | protein | 130 | 28% helix, 39% strand | P07445 |
| A | Steroid delta-isomerase (EC 5.3.3.1) | protein | 129 | 31% helix, 39% strand | P07445 |
Ligands and binding sites
- ASD · 4-androstene-3-17-dione · ligand · 2 copies · chains B, A
- MG · Magnesium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains B, A
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 | 244 | 0.67 | 0.83 | 25 | ASD |
| 2 | 168 | 0.62 | 0.83 | 21 | ASD |
| 3 | 63 | 0.34 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- B–A · 1094 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 6UCY · Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to… · the same entry in another collection · chain B against B, 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 6UCY · PDBe 6UCY · UniProt P07445
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