MolNFT v1 · #95105 · protein
High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog
4IGH · Dihydroorotate dehydrogenase (quinone), mitochondrial: “High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic…”. X-ray diffraction, 4 ligands (FMN, ORO, 1EA), 5 pockets (best…
- PDB
- 4IGH
- Type
- protein
- Length
- 356 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroorotate dehydrogenase (quinone), mitochondrial
- EC
- 1.3.5.2
- UniProt
- Q02127
- Ligands
- FMN, ORO, 1EA, ZWI
- Pockets
- 5 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydroorotate dehydrogenase (quinone), mitochondrial (EC 1.3.5.2) | protein | 356 | 45% helix, 17% strand | Q02127 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- ORO · Orotic acid · ligand · chains A
- 1EA · 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid · ligand · chains A
- ZWI · 3-[decyl(dimethyl)ammonio]propane-1-sulfonate · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 453 | 0.84 | 0.91 | 61 | FMN, ORO, 1EA |
| 2 | 221 | 0.63 | 0.82 | 36 | ZWI |
| 3 | 156 | 0.50 | 0.78 | 20 | empty |
| 4 | 75 | 0.43 | 0.81 | 19 | GOL |
| 5 | 107 | 0.40 | 0.76 | 21 | empty |
Compared structures
- 4IGH · High resolution crystal structure of human dihydroorotate dehydrogenase bound with… · 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 Q02127
- Elsewhere: RCSB PDB 4IGH · PDBe 4IGH · UniProt Q02127
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