Research workbench
Cryo-EM structure of an acinetobacter baumannii multidrug efflux pump
Analyse Cryo-EM structure of an acinetobacter baumannii multidrug efflux pump in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6OWS
- Type
- protein
- Length
- 3,069 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Efflux pump membrane transporter
- UniProt
- Q2FD70
- Ligands
- PTY
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 1 distinct chain · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Efflux pump membrane transporter | protein | 1023 | 48% helix, 17% strand | Q2FD70 |
Ligands and binding sites
- PTY · Phosphatidylethanolamine · ligand · 6 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 852 | 0.86 | 0.89 | 105 | empty |
| 2 | 995 | 0.85 | 0.87 | 104 | empty |
| 3 | 581 | 0.83 | 0.89 | 70 | empty |
| 4 | 469 | 0.81 | 0.89 | 42 | empty |
| 5 | 608 | 0.79 | 0.85 | 86 | empty |
Interfaces
3 interfaces between chains.
- B–C · 2858 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 2826 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 2820 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 6OWS · Cryo-EM structure of an Acinetobacter baumannii multidrug efflux pump · the same entry in another collection · chain A against A, TM-score 1.00
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 Q2FD70
- Elsewhere: RCSB PDB 6OWS · PDBe 6OWS · UniProt Q2FD70
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