Research workbench
Crystal structure of a multidrug transporter reveal a functionally rotating mechanism
Analyse Crystal structure of a multidrug transporter reveal a functionally rotating… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2DHH
- Type
- protein
- Length
- 3,066 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acrb
- UniProt
- P31224
- Pockets
- 20 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Acrb | protein | 1022 | 43% helix, 14% 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 | 945 | 0.89 | 0.91 | 137 | empty |
| 2 | 1071 | 0.85 | 0.86 | 122 | empty |
| 3 | 342 | 0.82 | 0.92 | 69 | empty |
| 4 | 934 | 0.80 | 0.82 | 86 | empty |
| 5 | 496 | 0.78 | 0.86 | 79 | empty |
Interfaces
3 interfaces between chains.
- A–C · 3399 Ų buried · 39 hydrogen bonds · protein-protein
- B–C · 3287 Ų buried · 35 hydrogen bonds · protein-protein
- A–B · 2874 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 2DHH · Crystal structure of a multidrug transporter reveal a functionally rotating mechanism · the same entry in another collection · chain B against B, 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 B against A, TM-score 0.98
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 2DHH · PDBe 2DHH · UniProt P31224
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