Research workbench
Hoisting-loop in bacterial multidrug exporter acrb is a highly flexible hinge that enables the large motion of the subdomains
Analyse Hoisting-loop in bacterial multidrug exporter acrb is a highly flexible hinge… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5YIL
- Type
- protein
- Length
- 3,101 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidrug efflux pump subunit acrb
- UniProt
- P31224
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Multidrug efflux pump subunit acrb | protein | 1041 | 47% helix, 18% strand | P31224 |
| B, C | Multidrug efflux pump subunit acrb | protein | 1030 | 46% helix, 17% strand | P31224 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 895 | 0.88 | 0.90 | 120 | empty |
| 2 | 572 | 0.86 | 0.92 | 78 | empty |
| 3 | 912 | 0.86 | 0.88 | 115 | empty |
| 4 | 382 | 0.81 | 0.90 | 37 | empty |
| 5 | 943 | 0.78 | 0.80 | 70 | empty |
Interfaces
3 interfaces between chains.
- A–B · 3691 Ų buried · 49 hydrogen bonds · protein-protein
- A–C · 3440 Ų buried · 31 hydrogen bonds · protein-protein
- B–C · 3266 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 5YIL · Hoisting-loop in bacterial multidrug exporter AcrB is a highly flexible hinge that… · the same entry in another collection · chain A against A, TM-score 1.00
- P31224 · AlphaFold monomer V2.0 prediction for multidrug efflux pump subunit acrb (P31224) · a predicted model of the same protein · chain C 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 P31224
- Elsewhere: RCSB PDB 5YIL · PDBe 5YIL · UniProt P31224
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