Research workbench
Crystal structure of the R236A etf mutant from M. methylotrophus
Analyse Crystal structure of the R236A etf mutant from M. methylotrophus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CLR
- Type
- protein
- Length
- 573 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Electron transfer flavoprotein subunit beta; Electron transfer flavoprotein subunit alpha
- UniProt
- P53570, P53571
- Ligands
- AMP, FAD, PO4
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Electron transfer flavoprotein subunit beta | protein | 254 | 32% helix, 29% strand | P53570 |
| D | Electron transfer flavoprotein subunit alpha | protein | 319 | 29% helix, 31% strand | P53571 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · chains C
- FAD · Flavin-adenine dinucleotide · ligand · chains C, D
- PO4 · Phosphate ion · ion · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 550 | 0.80 | 0.86 | 61 | AMP |
| 2 | 1043 | 0.78 | 0.80 | 108 | FAD |
| 3 | 167 | 0.50 | 0.78 | 23 | empty |
| 4 | 87 | 0.36 | 0.76 | 21 | empty |
| 5 | 64 | 0.32 | 0.76 | 23 | empty |
Interfaces
1 interface between chains.
- C–D · 3692 Ų buried · 65 hydrogen bonds · protein-protein
Compared structures
- 3CLR · Crystal structure of the R236A ETF mutant from M. methylotrophus · the same entry in another collection · chain C against C, TM-score 1.00
- P53571 · AlphaFold monomer V2.0 prediction for electron transfer flavoprotein subunit alpha… · a predicted model of the same protein · chain D against A, TM-score 1.00
- P53570 · AlphaFold monomer V2.0 prediction for electron transfer flavoprotein subunit beta (P53570) · a predicted model of the same protein · chain C against A, TM-score 0.91
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 P53570
- Every structure of UniProt P53571
- Elsewhere: RCSB PDB 3CLR · PDBe 3CLR · UniProt P53570 · UniProt P53571
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