Research workbench
Conformational flexibility in the multidrug efflux system protein acra
Analyse Conformational flexibility in the multidrug efflux system protein acra in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2F1M
- Type
- protein
- Length
- 923 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acriflavine resistance protein a
- UniProt
- P0AE06
- Pockets
- 14 · best druggability 0.60
Structure
x-ray diffraction · 4 distinct chains · 30% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acriflavine resistance protein a | protein | 229 | 28% helix, 30% strand | P0AE06 |
| B | Acriflavine resistance protein a | protein | 223 | 30% helix, 33% strand | P0AE06 |
| C | Acriflavine resistance protein a | protein | 247 | 30% helix, 30% strand | P0AE06 |
| D | Acriflavine resistance protein a | protein | 224 | 29% helix, 31% strand | P0AE06 |
Pockets
14 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 526 | 0.60 | 0.74 | 58 | empty |
| 2 | 363 | 0.56 | 0.75 | 39 | empty |
| 3 | 293 | 0.52 | 0.74 | 37 | empty |
| 4 | 75 | 0.45 | 0.82 | 22 | empty |
| 5 | 142 | 0.43 | 0.75 | 20 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1672 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 1613 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 768 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 modified (engineered).
Compared structures
- 2F1M · Conformational flexibility in the multidrug efflux system protein AcrA · the same entry in another collection · chain D against D, TM-score 1.00
- P0AE06 · AlphaFold monomer V2.0 prediction for multidrug efflux pump subunit acra (P0AE06) · a predicted model of the same protein · chain B against A, TM-score 0.90
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 P0AE06
- Elsewhere: RCSB PDB 2F1M · PDBe 2F1M · UniProt P0AE06
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