MolNFT v1 · #30533 · protein
Crystal structure of the human etf E165BETAA mutant
2A1U · Electron transfer flavoprotein alpha-subunit, mitochondrial…: “Crystal structure of the human etf E165BETAA mutant”. X-ray diffraction, 2 ligands (FAD, AMP), 5 pockets (best druggability 0.81). MolNFT v1 #30533 on GenesisL1: 3D…
- PDB
- 2A1U
- Type
- protein
- Length
- 567 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Electron transfer flavoprotein alpha-subunit, mitochondrial precursor; Electron transfer…
- UniProt
- P13804, P38117
- Ligands
- FAD, AMP
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Electron transfer flavoprotein alpha-subunit, mitochondrial precursor | protein | 315 | 30% helix, 29% strand | P13804 |
| B | Electron transfer flavoprotein beta-subunit | protein | 252 | 29% helix, 30% strand | P38117 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A, B
- AMP · Adenosine monophosphate · ligand · chains 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 | 657 | 0.81 | 0.86 | 60 | AMP |
| 2 | 703 | 0.78 | 0.83 | 78 | empty |
| 3 | 266 | 0.58 | 0.78 | 41 | empty |
| 4 | 263 | 0.56 | 0.77 | 50 | FAD |
| 5 | 50 | 0.28 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 3539 Ų buried · 63 hydrogen bonds · protein-protein
Compared structures
- 2A1U · Crystal structure of the human ETF E165betaA mutant · the same entry in another collection · chain A against A, TM-score 1.00
- P13804 · AlphaFold monomer V2.0 prediction for electron transfer flavoprotein subunit alpha… · a predicted model of the same protein · chain A against A, TM-score 0.99
- P38117 · AlphaFold monomer V2.0 prediction for electron transfer flavoprotein subunit beta (P38117) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P13804
- Every structure of UniProt P38117
- Elsewhere: RCSB PDB 2A1U · PDBe 2A1U · UniProt P13804 · UniProt P38117
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