MolNFT v1 · #98214 · protein
Electron transferring flavoprotein of acidaminococcus fermentans: towards a mechanism of flavin-based electron bifurcation
4L2I · Electron transfer flavoprotein alpha subunit: “Electron transferring flavoprotein of acidaminococcus fermentans: towards a mechanism of flavin-based…”. X-ray diffraction, 3 ligands (FAD, NAD, CL), 6 pockets (best druggability 0.80).…
- PDB
- 4L2I
- 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, NAD, CL
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 32% 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 | 32% helix, 28% strand | D2RIQ2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains B
- CL · Chloride ion · ion · chains A, B
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 | 1137 | 0.80 | 0.82 | 116 | FAD |
| 2 | 514 | 0.72 | 0.81 | 59 | FAD, NAD |
| 3 | 158 | 0.64 | 0.86 | 39 | empty |
| 4 | 85 | 0.35 | 0.75 | 20 | empty |
| 5 | 53 | 0.35 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 3763 Ų buried · 68 hydrogen bonds · protein-protein
Compared structures
- 4L2I · 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 4L2I · PDBe 4L2I · UniProt D2RIQ3 · UniProt D2RIQ2
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