MolNFT v1 · #147907 · protein
Crystal structure of cyclohexanone monooxygenase from rhodococcus sp. PHI1 bound to NADP+
6ER9: “Crystal structure of cyclohexanone monooxygenase from rhodococcus sp. PHI1 bound to NADP+”. X-ray diffraction, 2 ligands (FAD, NAP), 12 pockets (best druggability 0.87). MolNFT v1 #147907 on GenesisL1: 3D structure, binding sites…
- PDB
- 6ER9
- Type
- protein
- Length
- 1,061 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclohexanone monooxygenase
- UniProt
- Q84H73
- Ligands
- FAD, NAP
- Pockets
- 12 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclohexanone monooxygenase | protein | 531 | 36% helix, 21% strand | Q84H73 |
| B | Cyclohexanone monooxygenase | protein | 530 | 36% helix, 21% strand | Q84H73 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1049 | 0.87 | 0.87 | 95 | FAD, NAP |
| 2 | 968 | 0.86 | 0.87 | 88 | FAD, NAP |
| 3 | 180 | 0.56 | 0.80 | 24 | empty |
| 4 | 142 | 0.52 | 0.80 | 22 | empty |
| 5 | 76 | 0.42 | 0.80 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 122 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6ER9 · Crystal structure of cyclohexa monooxygenase from Rhodococcus sp. Phi1 bound to NADP+ · 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 Q84H73
- Elsewhere: RCSB PDB 6ER9 · PDBe 6ER9 · UniProt Q84H73
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