MolNFT v1 · #165650 · protein
Crystal structure of ketosteroid isomerase from pseudomonas putida (pksi) at 280 K
6U1Z · Steroid delta-isomerase: “Crystal structure of ketosteroid isomerase from pseudomonas putida (pksi) at 280 K”. X-ray diffraction, 2 ligands (MG, CL), 3 pockets (best druggability 0.63). MolNFT v1 #165650 on GenesisL1: 3D structure…
- PDB
- 6U1Z
- Type
- protein
- Length
- 254 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
- MG, CL
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Steroid delta-isomerase (EC 5.3.3.1) | protein | 128 | 30% helix, 40% strand | P07445 |
| A | Steroid delta-isomerase (EC 5.3.3.1) | protein | 126 | 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
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 | 193 | 0.63 | 0.83 | 25 | empty |
| 2 | 212 | 0.63 | 0.82 | 25 | empty |
| 3 | 70 | 0.34 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- B–A · 1092 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 6U1Z · Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 280 K · 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 6U1Z · PDBe 6U1Z · UniProt P07445
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