MolNFT v1 · #138669 · protein
Crystal structure of a carbonyl reductase from pseudomonas aeruginosa PAO1 (condition I)
5WQM · Probable dehydrogenase: “Crystal structure of a carbonyl reductase from pseudomonas aeruginosa PAO1 (condition I)”. X-ray diffraction, 1 ligand (NA), 4 pockets (best druggability 0.66). MolNFT v1 #138669 on GenesisL1: 3D structure…
- PDB
- 5WQM
- Type
- protein
- Length
- 872 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable dehydrogenase
- UniProt
- Q9HWU9
- Ligands
- NA
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Probable dehydrogenase | protein | 218 | 44% helix, 20% strand | Q9HWU9 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 488 | 0.66 | 0.77 | 59 | empty |
| 2 | 213 | 0.56 | 0.79 | 35 | empty |
| 3 | 293 | 0.56 | 0.76 | 36 | empty |
| 4 | 203 | 0.52 | 0.77 | 35 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1465 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 1462 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 807 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5WQM · Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition I) · 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 Q9HWU9
- Elsewhere: RCSB PDB 5WQM · PDBe 5WQM · UniProt Q9HWU9
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