MolNFT v1 · #181755 · protein
Multidrug efflux pump adej
7M4Q · Efflux pump membrane transporter: “Multidrug efflux pump adej”. Electron microscopy, 1 ligand (3PE), 20 pockets (best druggability 0.87). MolNFT v1 #181755 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7M4Q
- Type
- protein
- Length
- 3,142 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Efflux pump membrane transporter
- UniProt
- Q2FD94
- Ligands
- 3PE
- Pockets
- 20 · best druggability 0.87
Structure
electron microscopy · 3 distinct chains · 55% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Efflux pump membrane transporter | protein | 1049 | 55% helix, 18% strand | Q2FD94 |
| B | Efflux pump membrane transporter | protein | 1047 | 54% helix, 18% strand | Q2FD94 |
| C | Efflux pump membrane transporter | protein | 1046 | 55% helix, 18% strand | Q2FD94 |
Ligands and binding sites
- 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine · ligand · 8 copies · chains A, B, C
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 | 964 | 0.87 | 0.89 | 124 | empty |
| 2 | 409 | 0.85 | 0.93 | 73 | empty |
| 3 | 274 | 0.82 | 0.94 | 49 | empty |
| 4 | 460 | 0.81 | 0.89 | 75 | empty |
| 5 | 262 | 0.80 | 0.91 | 54 | empty |
Interfaces
3 interfaces between chains.
- A–B · 3070 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 3066 Ų buried · 36 hydrogen bonds · protein-protein
- A–C · 2804 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 7M4Q · Multidrug Efflux pump AdeJ · 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 Q2FD94
- Elsewhere: RCSB PDB 7M4Q · PDBe 7M4Q · UniProt Q2FD94
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