MolNFT v1 · #93446 · protein
Structure of mhpco Y270F mutant, 5-hydroxynicotinic acid complex
4H2R · 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase: “Structure of mhpco Y270F mutant, 5-hydroxynicotinic acid complex”. X-ray diffraction, 2 ligands (FAD, 5HN), 6 pockets (best druggability 0.79). MolNFT v1 #93446 on GenesisL1…
- PDB
- 4H2R
- 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
- EC
- 1.14.12.4
- UniProt
- Q988D3
- Ligands
- FAD, 5HN
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 29% 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 | 369 | 34% helix, 29% strand | Q988D3 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- 5HN · 5-hydroxypyridine-3-carboxylic acid · ligand · chains A
- GOL · Glycerol · additive · 5 copies · chains A, B
- BME · Beta-mercaptoethanol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 132 | 0.79 | 0.96 | 24 | GOL |
| 2 | 575 | 0.79 | 0.85 | 70 | FAD |
| 3 | 845 | 0.79 | 0.82 | 78 | FAD, BME, 5HN |
| 4 | 69 | 0.69 | 0.96 | 21 | empty |
| 5 | 405 | 0.57 | 0.74 | 51 | empty |
Interfaces
1 interface between chains.
- A–B · 955 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4H2R · Structure of MHPCO Y270F mutant, 5-hydroxynicotinic acid complex · 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 4H2R · PDBe 4H2R · UniProt Q988D3
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