MolNFT v1 · #149056 · protein
The crystal structure of P.FLUORESCENS kynurenine 3-monooxygenase (kmo) in complex with kynurenine
6FOX: “The crystal structure of P.FLUORESCENS kynurenine 3-monooxygenase (kmo) in complex with kynurenine”. X-ray diffraction, 3 ligands (FAD, KYN, CA), 6 pockets (best druggability 0.86). MolNFT v1 #149056 on GenesisL1: 3D structure…
- PDB
- 6FOX
- Type
- protein
- Length
- 897 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, KYN, CA
- Pockets
- 6 · best druggability 0.86
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 | 449 | 40% helix, 22% strand | Q84HF5 |
| B | Kynurenine 3-monooxygenase (EC 1.14.13.9) | protein | 448 | 42% helix, 22% strand | Q84HF5 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- KYN · (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid · ligand · chains B
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1067 | 0.86 | 0.86 | 116 | FAD, CA |
| 2 | 855 | 0.78 | 0.81 | 79 | KYN, FAD |
| 3 | 364 | 0.74 | 0.85 | 34 | empty |
| 4 | 53 | 0.31 | 0.76 | 15 | empty |
| 5 | 52 | 0.31 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 644 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6FOX · The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with… · the same entry in another collection · chain B against B, TM-score 1.00
- Q84HF5 · AlphaFold monomer V2.0 prediction for kynurenine 3-monooxygenase (Q84HF5) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 6FOX · PDBe 6FOX · UniProt Q84HF5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.