MolNFT v1 · #126368 · protein
Cyclohexanone monooxygenase from T. municipale: reduced enzyme bound to NADP+
5M0Z · Cyclohexanone monooxygenase from thermocrispum municipale.: “Cyclohexanone monooxygenase from T. municipale: reduced enzyme bound to NADP+”. X-ray diffraction, 2 ligands (FAD, NA7), 3 pockets (best druggability 0.86). MolNFT v1…
- PDB
- 5M0Z
- 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, NA7
- 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
- NA7 · [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate · ligand · chains A
- GOL · Glycerol · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 852 | 0.86 | 0.88 | 87 | FAD, NA7 |
| 2 | 124 | 0.48 | 0.79 | 21 | empty |
| 3 | 53 | 0.26 | 0.74 | 17 | empty |
Compared structures
- 5M0Z · Cyclohexa Monooxygenase from T. municipale: reduced enzyme 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
- Elsewhere: RCSB PDB 5M0Z · PDBe 5M0Z
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