MolNFT v1 · #139157 · protein
Crystal structure of pseudomonas fluorescens kmo
5X6P · Kynurenine 3-monooxygenase: “Crystal structure of pseudomonas fluorescens kmo”. X-ray diffraction, 1 ligand (FAD), 8 pockets (best druggability 0.83). MolNFT v1 #139157 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5X6P
- Type
- protein
- Length
- 895 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
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kynurenine 3-monooxygenase (EC 1.14.13.9) | protein | 451 | 41% helix, 22% strand | Q84HF5 |
| B | Kynurenine 3-monooxygenase (EC 1.14.13.9) | protein | 444 | 42% helix, 21% strand | Q84HF5 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1121 | 0.83 | 0.84 | 111 | FAD |
| 2 | 845 | 0.77 | 0.80 | 93 | FAD |
| 3 | 455 | 0.70 | 0.81 | 48 | empty |
| 4 | 232 | 0.64 | 0.82 | 40 | empty |
| 5 | 68 | 0.36 | 0.78 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 407 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
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 5X6P · PDBe 5X6P · UniProt Q84HF5
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