MolNFT v1 · #93445 · protein
Structure of mhpco-5HN complex
4H2Q · 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase: “Structure of mhpco-5HN complex”. X-ray diffraction, 2 ligands (FAD, 5HN), 2 pockets (best druggability 0.81). MolNFT v1 #93445 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4H2Q
- Type
- protein
- Length
- 370 residues
- Chains
- 1
- 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
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase (EC 1.14.12.4) | protein | 370 | 35% helix, 28% strand | Q988D3 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- 5HN · 5-hydroxypyridine-3-carboxylic acid · ligand · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- BME · Beta-mercaptoethanol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 965 | 0.81 | 0.83 | 82 | FAD, BME, 5HN |
| 2 | 103 | 0.38 | 0.75 | 15 | empty |
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 4H2Q · structure of MHPCO-5HN 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 4H2Q · PDBe 4H2Q · UniProt Q988D3
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