Research workbench
Electron transferring flavoprotein of acidaminococcus fermentans: towards a mechanism of flavin-based electron bifurcation
Analyse Electron transferring flavoprotein of acidaminococcus fermentans: towards a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KPU
- Type
- protein
- Length
- 601 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Electron transfer flavoprotein alpha subunit; Electron transfer flavoprotein…
- UniProt
- D2RIQ3, D2RIQ2
- Ligands
- FAD, CL
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Electron transfer flavoprotein alpha subunit | protein | 338 | 33% helix, 28% strand | D2RIQ3 |
| B | Electron transfer flavoprotein ALPHA/BETA-subunit | protein | 263 | 33% helix, 28% strand | D2RIQ2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1186 | 0.79 | 0.81 | 118 | FAD |
| 2 | 466 | 0.71 | 0.81 | 60 | FAD |
| 3 | 62 | 0.69 | 0.96 | 21 | empty |
| 4 | 158 | 0.64 | 0.86 | 37 | empty |
| 5 | 83 | 0.34 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 3727 Ų buried · 68 hydrogen bonds · protein-protein
Compared structures
- 4KPU · Electron transferring flavoprotein of Acidaminococcus fermentans: Towards a mechanism of… · 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 D2RIQ3
- Every structure of UniProt D2RIQ2
- Elsewhere: RCSB PDB 4KPU · PDBe 4KPU · UniProt D2RIQ3 · UniProt D2RIQ2
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