MolNFT v1 · #139159 · protein
Crystal structure of saccharomyces cerevisiae kmo in complex with ro 61-8048
5X6R · Kynurenine 3-monooxygenase: “Crystal structure of saccharomyces cerevisiae kmo in complex with ro 61-8048”. X-ray diffraction, 2 ligands (FAD, 7ZR), 9 pockets (best druggability 0.81). MolNFT v1 #139159 on GenesisL1: 3D structure…
- PDB
- 5X6R
- Type
- protein
- Length
- 735 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
- P38169
- Ligands
- FAD, 7ZR
- Pockets
- 9 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kynurenine 3-monooxygenase (EC 1.14.13.9) | protein | 374 | 36% helix, 27% strand | P38169 |
| B | Kynurenine 3-monooxygenase (EC 1.14.13.9) | protein | 361 | 37% helix, 28% strand | P38169 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- 7ZR · 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 911 | 0.81 | 0.82 | 71 | FAD, 7ZR |
| 2 | 1071 | 0.77 | 0.79 | 79 | FAD, 7ZR |
| 3 | 248 | 0.51 | 0.75 | 22 | empty |
| 4 | 164 | 0.49 | 0.77 | 37 | empty |
| 5 | 146 | 0.47 | 0.77 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 539 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 5X6R · Crystal structure of Saccharomyces cerevisiae KMO in complex with Ro 61-8048 · the same entry in another collection · chain A against A, TM-score 1.00
- P38169 · AlphaFold monomer V2.0 prediction for kynurenine 3-monooxygenase (P38169) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P38169
- Elsewhere: RCSB PDB 5X6R · PDBe 5X6R · UniProt P38169
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.