Research workbench
Multi-drug efflux; membrane transport; rnd superfamily; drug resistance
Analyse Multi-drug efflux; membrane transport; rnd superfamily; drug resistance in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5V5S
- Type
- protein
- Length
- 6,435 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Outer membrane protein tolc; Multidrug efflux pump subunit acra; Multidrug efflux pump…
- UniProt
- P02930, P0AE07, P31224
- Pockets
- 20 · best druggability 0.89
Structure
electron microscopy · 3 distinct chains · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Outer membrane protein tolc | protein | 428 | 64% helix, 15% strand | P02930 |
| D, E, F, G, H, I | Multidrug efflux pump subunit acra | protein | 340 | 23% helix, 22% strand | P0AE07 |
| J, K, L | Multidrug efflux pump subunit acrb | protein | 1037 | 51% helix, 15% 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 | 934 | 0.89 | 0.90 | 124 | empty |
| 2 | 605 | 0.87 | 0.91 | 88 | empty |
| 3 | 902 | 0.87 | 0.88 | 135 | empty |
| 4 | 573 | 0.86 | 0.91 | 85 | empty |
| 5 | 828 | 0.84 | 0.87 | 140 | empty |
Interfaces
33 interfaces between chains.
- K–L · 2723 Ų buried · 40 hydrogen bonds · protein-protein
- J–K · 2712 Ų buried · 32 hydrogen bonds · protein-protein
- J–L · 2709 Ų buried · 37 hydrogen bonds · protein-protein
- A–B · 2475 Ų buried · 55 hydrogen bonds · protein-protein
- A–C · 2474 Ų buried · 49 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 modified (engineered).
Compared structures
- 5V5S · multi-drug efflux; membrane transport; RND superfamily; Drug resistance · the same entry in another collection · chain L against L, 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 P02930
- Every structure of UniProt P0AE07
- Every structure of UniProt P31224
- Elsewhere: RCSB PDB 5V5S · PDBe 5V5S · UniProt P02930 · UniProt P0AE07 · UniProt P31224
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