Research workbench
The crystal structure of P.FLUORESCENS kynurenine 3-monooxygenase (kmo) in complex with competitive inhibitor no. 9
Analyse The crystal structure of P.FLUORESCENS kynurenine 3-monooxygenase (kmo) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6FOY
- Type
- protein
- Length
- 892 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kynurenine 3-monooxygenase
- EC
- 1.14.13.9
- UniProt
- Q84HF5
- Ligands
- FAD, E0T, CA
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kynurenine 3-monooxygenase (EC 1.14.13.9) | protein | 445 | 41% helix, 23% strand | Q84HF5 |
| B | Kynurenine 3-monooxygenase (EC 1.14.13.9) | protein | 447 | 41% helix, 21% strand | Q84HF5 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- E0T · 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · chains A
- PGE · Triethylene glycol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 820 | 0.79 | 0.82 | 73 | FAD, E0T |
| 2 | 946 | 0.77 | 0.80 | 98 | FAD, E0T |
| 3 | 545 | 0.72 | 0.80 | 54 | empty |
| 4 | 453 | 0.68 | 0.79 | 38 | empty |
| 5 | 432 | 0.66 | 0.79 | 48 | empty |
Interfaces
1 interface between chains.
- A–B · 402 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6FOY · The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q84HF5 · AlphaFold monomer V2.0 prediction for kynurenine 3-monooxygenase (Q84HF5) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q84HF5
- Elsewhere: RCSB PDB 6FOY · PDBe 6FOY · UniProt Q84HF5
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