MolNFT v1 · #126369 · protein
Crystal structure of cyclohexanone monooxygenase from thermocrispum municipale in the oxidised state with a bound nicotinamide.
5M10: “Crystal structure of cyclohexanone monooxygenase from thermocrispum municipale in the oxidised state with a…”. X-ray diffraction, 3 ligands (FAD, NAP, NCA), 3 pockets (best druggability 0.86). MolNFT v1 #126369 on GenesisL1: 3D…
- PDB
- 5M10
- Type
- protein
- Length
- 529 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclohexanone monooxygenase from thermocrispum municipale
- EC
- 1.14.13.22
- Ligands
- FAD, NAP, NCA
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclohexanone monooxygenase from thermocrispum municipale (EC 1.14.13.22) | protein | 529 | 37% helix, 19% strand | — |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- NCA · Nicotinamide · ligand · chains A
- GOL · Glycerol · additive · 5 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A
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 | 894 | 0.86 | 0.88 | 87 | FAD, NAP, NCA |
| 2 | 149 | 0.56 | 0.81 | 27 | empty |
| 3 | 53 | 0.26 | 0.74 | 21 | empty |
Compared structures
- 5M10 · Crystal structure of cyclohexa monooxygenase from Thermocrispum municipale in the… · 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
- Elsewhere: RCSB PDB 5M10 · PDBe 5M10
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