MolNFT v1 · #180075 · protein
Electron bifurcating flavoprotein FIX/ETFABCX
7KOE · Electron transfer flavoprotein, beta subunit: “Electron bifurcating flavoprotein FIX/ETFABCX”. Electron microscopy, 3 ligands (FAD, SF4, MQ7), 16 pockets (best druggability 0.87). MolNFT v1 #180075 on GenesisL1: 3D structure…
- PDB
- 7KOE
- Type
- protein
- Length
- 2,296 residues
- Chains
- 8
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Electron transfer flavoprotein, beta subunit; Electron transfer flavoprotein, alpha…
- EC
- 1.5.5.-
- UniProt
- Q9X1L6, R4P3F4, R4P168, R4NRM2
- Ligands
- FAD, SF4, MQ7
- Pockets
- 16 · best druggability 0.87
Structure
electron microscopy · 4 distinct chains · 29% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Electron transfer flavoprotein, beta subunit | protein | 282 | 28% helix, 26% strand | Q9X1L6 |
| B, F | Electron transfer flavoprotein, alpha subunit | protein | 336 | 25% helix, 24% strand | R4P3F4 |
| C, G | Electron transfer flavoprotein-quinone oxidoreductase fixc (EC 1.5.5.-) | protein | 438 | 35% helix, 23% strand | R4P168 |
| D, H | Ferredoxin-like protein | protein | 92 | 24% helix, 17% strand | R4NRM2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 6 copies · chains A, B, D, C, E, F, H, G
- SF4 · Iron/sulfur cluster · ligand · 4 copies · chains D, H
- MQ7 · Menaquinone-7 · ligand · 2 copies · chains C, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 435 | 0.87 | 0.95 | 70 | FAD |
| 2 | 425 | 0.87 | 0.95 | 70 | FAD |
| 3 | 1037 | 0.87 | 0.88 | 106 | empty |
| 4 | 1081 | 0.83 | 0.84 | 75 | empty |
| 5 | 798 | 0.77 | 0.81 | 90 | empty |
Interfaces
11 interfaces between chains.
- A–B · 4129 Ų buried · 55 hydrogen bonds · protein-protein
- E–F · 4127 Ų buried · 55 hydrogen bonds · protein-protein
- C–G · 2614 Ų buried · 43 hydrogen bonds · protein-protein
- G–H · 1805 Ų buried · 32 hydrogen bonds · protein-protein
- C–D · 1801 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 7KOE · Electron bifurcating flavoprotein Fix/EtfABCX · 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 Q9X1L6
- Every structure of UniProt R4P3F4
- Every structure of UniProt R4P168
- Every structure of UniProt R4NRM2
- Elsewhere: RCSB PDB 7KOE · PDBe 7KOE · UniProt Q9X1L6 · UniProt R4P3F4 · UniProt R4P168 · UniProt R4NRM2
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