MolNFT v1 · #65073 · protein
Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase with substrate bound
3GMC: “Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase with substrate bound”. X-ray diffraction, 2 ligands (FAD, 3HM), 6 pockets (best druggability 0.80). MolNFT v1 #65073 on GenesisL1: 3D structure, binding…
- PDB
- 3GMC
- Type
- protein
- Length
- 738 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
- UniProt
- Q988D3
- Ligands
- FAD, 3HM
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase | protein | 369 | 35% helix, 27% strand | Q988D3 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- 3HM · 5-hydroxy-6-methylpyridine-3-carboxylic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1073 | 0.80 | 0.82 | 97 | FAD, 3HM |
| 2 | 1148 | 0.80 | 0.81 | 106 | FAD, 3HM |
| 3 | 192 | 0.47 | 0.75 | 23 | empty |
| 4 | 168 | 0.43 | 0.74 | 22 | empty |
| 5 | 73 | 0.30 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 746 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3GMC · Crystal Structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid Oxygenase with… · the same entry in another collection · chain B against B, TM-score 1.00
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 Q988D3
- Elsewhere: RCSB PDB 3GMC · PDBe 3GMC · UniProt Q988D3
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