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Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, mutant C294A
Analyse Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ALM
- Type
- protein
- Length
- 740 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
- EC
- 1.14.12.4
- UniProt
- Q988D3
- Ligands
- FAD
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase (EC 1.14.12.4) | protein | 370 | 34% helix, 27% strand | Q988D3 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 5 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 | 1114 | 0.81 | 0.82 | 99 | FAD, GOL |
| 2 | 1099 | 0.80 | 0.82 | 102 | FAD, GOL |
| 3 | 259 | 0.48 | 0.73 | 33 | empty |
| 4 | 181 | 0.45 | 0.75 | 24 | empty |
| 5 | 87 | 0.32 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 672 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3ALM · Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, mutant C294A · the same entry in another collection · chain A against A, 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 3ALM · PDBe 3ALM · UniProt Q988D3
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