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Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of P21221
Analyse Crystal structure of cyclohexanone monooxygenase from T. municipale mutant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7V8O
- Type
- protein
- Length
- 1,058 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclohexanone monooxygenase from thermocrispum municipale
- EC
- 1.14.13.22
- UniProt
- A0A1L1QK40
- Ligands
- FAD, NAP, NA
- Pockets
- 9 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cyclohexanone monooxygenase from thermocrispum municipale (EC 1.14.13.22) | protein | 529 | 37% helix, 19% strand | A0A1L1QK40 |
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
- NA · Sodium ion · metal · chains B
- PEG · Di(hydroxyethyl)ether · additive · chains B
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 752 | 0.87 | 0.91 | 83 | FAD, NAP |
| 2 | 805 | 0.87 | 0.90 | 86 | FAD, NAP |
| 3 | 315 | 0.75 | 0.87 | 59 | empty |
| 4 | 156 | 0.52 | 0.79 | 22 | empty |
| 5 | 135 | 0.51 | 0.80 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 625 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7V8O · Crystal structure of cyclohexa monooxygenase from T. municipale mutant L437T complexed… · 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 A0A1L1QK40
- Elsewhere: RCSB PDB 7V8O · PDBe 7V8O · UniProt A0A1L1QK40
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