Research workbench
Crystal structure of a carbonyl reductase from pseudomonas aeruginosa PAO1 (condition II)
Analyse Crystal structure of a carbonyl reductase from pseudomonas aeruginosa PAO1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5WQN
- Type
- protein
- Length
- 881 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable dehydrogenase
- UniProt
- Q9HWU9
- Pockets
- 5 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 44% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Probable dehydrogenase | protein | 217 | 45% helix, 21% strand | Q9HWU9 |
| C | Probable dehydrogenase | protein | 221 | 44% helix, 20% strand | Q9HWU9 |
| D | Probable dehydrogenase | protein | 226 | 44% helix, 20% strand | Q9HWU9 |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 359 | 0.60 | 0.77 | 47 | empty |
| 2 | 239 | 0.60 | 0.80 | 34 | empty |
| 3 | 279 | 0.53 | 0.75 | 39 | empty |
| 4 | 123 | 0.51 | 0.81 | 27 | empty |
| 5 | 209 | 0.49 | 0.76 | 29 | empty |
Interfaces
4 interfaces between chains.
- B–C · 1468 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 1436 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 442 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 45 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5WQN · Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition II) · 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 5WQN · PDBe 5WQN · UniProt Q9HWU9
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