MolNFT v1 · #19572 · protein
The structure of the open conformation of a flavocytochrome C3 fumarate reductase
1QO8: “The structure of the open conformation of a flavocytochrome C3 fumarate reductase”. X-ray diffraction, 2 ligands (HEM, FAD), 11 pockets (best druggability 0.84). MolNFT v1 #19572 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1QO8
- Type
- protein
- Length
- 1,128 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavocytochrome C3 fumarate reductase
- EC
- 1.3.99.1
- UniProt
- Q9Z4P0
- Ligands
- HEM, FAD
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Flavocytochrome C3 fumarate reductase (EC 1.3.99.1) | protein | 564 | 36% helix, 19% strand | Q9Z4P0 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 8 copies · chains A, D
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 840 | 0.84 | 0.86 | 125 | HEM, FAD |
| 2 | 1015 | 0.82 | 0.83 | 120 | HEM, FAD |
| 3 | 356 | 0.71 | 0.83 | 38 | empty |
| 4 | 451 | 0.71 | 0.81 | 63 | HEM |
| 5 | 220 | 0.62 | 0.82 | 22 | empty |
Interfaces
1 interface between chains.
- A–D · 1360 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1QO8 · The structure of the open conformation of a flavocytochrome c3 fumarate reductase · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Z4P0 · AlphaFold monomer V2.0 prediction for fumarate reductase flavoprotein subunit (Q9Z4P0) · a predicted model of the same protein · chain D against A, TM-score 0.92
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 Q9Z4P0
- Elsewhere: RCSB PDB 1QO8 · PDBe 1QO8 · UniProt Q9Z4P0
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