MolNFT v1 · #139140 · protein
Crystal structure of human kmo
5X68 · Kynurenine 3-monooxygenase: “Crystal structure of human kmo”. X-ray diffraction, 1 ligand (FAD), 8 pockets (best druggability 0.84). MolNFT v1 #139140 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5X68
- Type
- protein
- Length
- 707 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
- O15229
- Ligands
- FAD
- Pockets
- 8 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kynurenine 3-monooxygenase (EC 1.14.13.9) | protein | 353 | 31% helix, 29% strand | O15229 |
| B | Kynurenine 3-monooxygenase (EC 1.14.13.9) | protein | 354 | 33% helix, 29% strand | O15229 |
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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 919 | 0.84 | 0.85 | 93 | FAD |
| 2 | 832 | 0.82 | 0.85 | 83 | FAD |
| 3 | 258 | 0.71 | 0.85 | 30 | empty |
| 4 | 236 | 0.57 | 0.78 | 35 | empty |
| 5 | 155 | 0.52 | 0.80 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 2391 Ų buried · 33 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (methylation).
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 O15229
- Elsewhere: RCSB PDB 5X68 · PDBe 5X68 · UniProt O15229
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