Research workbench
Crystal structure of the quaternary ammonium rieske monooxygenase cnta in complex with substrate gamma-butyrobetaine
Analyse Crystal structure of the quaternary ammonium rieske monooxygenase cnta in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6Y8S
- Type
- protein
- Length
- 348 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carnitine monooxygenase oxygenase subunit
- EC
- 1.14.13.239
- UniProt
- A0A059ZPP5
- Ligands
- NM2, FES, FE
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carnitine monooxygenase oxygenase subunit (EC 1.14.13.239) | protein | 348 | 24% helix, 30% strand | A0A059ZPP5 |
Ligands and binding sites
- NM2 · 3-carboxy-N,N,N-trimethylpropan-1-aminium · ligand · 2 copies · chains A
- FES · Fe2/s2 (inorganic) cluster · ligand · chains A
- FE · Fe (III) ion · metal · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 328 | 0.67 | 0.81 | 32 | FE, NM2 |
| 2 | 189 | 0.54 | 0.79 | 26 | GOL |
Compared structures
- 6Y8S · Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with… · 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 A0A059ZPP5
- Elsewhere: RCSB PDB 6Y8S · PDBe 6Y8S · UniProt A0A059ZPP5
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