MolNFT v1 · #4944 · protein
Flavocytochrome C3 from shewanella frigidimarina histidine 365 mutated to alanine
1E39 · Fumarate reductase flavoprotein subunit: “Flavocytochrome C3 from shewanella frigidimarina histidine 365 mutated to alanine”. X-ray diffraction, 4 ligands (HEC, FAD, FUM), 6 pockets (best druggability 0.85). MolNFT v1 #4944 on…
- PDB
- 1E39
- Type
- protein
- Length
- 568 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fumarate reductase flavoprotein subunit
- EC
- 1.3.99.1
- UniProt
- Q07WU7
- Ligands
- HEC, FAD, FUM, NA
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fumarate reductase flavoprotein subunit (EC 1.3.99.1) | protein | 568 | 36% helix, 18% strand | Q07WU7 |
Ligands and binding sites
- HEC · Heme C · ligand · 4 copies · chains A
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- FUM · Fumaric acid · ligand · chains A
- NA · Sodium ion · metal · chains A
- GOL · Glycerol · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1157 | 0.85 | 0.86 | 141 | HEC, FAD, FUM |
| 2 | 304 | 0.63 | 0.80 | 29 | empty |
| 3 | 197 | 0.53 | 0.77 | 29 | empty |
| 4 | 98 | 0.37 | 0.75 | 19 | empty |
| 5 | 94 | 0.37 | 0.75 | 20 | empty |
Modifications
Observed in the structure: 8 cofactor (heme c attachment).
Compared structures
- 1E39 · Flavocytochrome C3 from Shewanella frigidimarina histidine 365 mutated to alanine · the same entry in another collection · chain A against A, TM-score 1.00
- Q07WU7 · AlphaFold monomer V2.0 prediction for fumarate reductase flavoprotein subunit (Q07WU7) · a predicted model of the same protein · 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 Q07WU7
- Elsewhere: RCSB PDB 1E39 · PDBe 1E39 · UniProt Q07WU7
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