MolNFT v1 · #187473 · protein
Emre S64V mutant bound to TETRA(4-FLUOROPHENYL)PHOSPHONIUM at pH 8.0
7SFQ · Multidrug transporter emre: “Emre S64V mutant bound to TETRA(4-FLUOROPHENYL)PHOSPHONIUM at pH 8.0”. Solid-state nmr, 1 ligand (VCJ), 3 pockets (best druggability 0.81). MolNFT v1 #187473 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7SFQ
- Type
- protein
- Length
- 204 residues
- Chains
- 2
- Method
- solid-state nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidrug transporter emre
- UniProt
- P23895
- Ligands
- VCJ
- Pockets
- 3 · best druggability 0.81
Structure
solid-state nmr · 1 distinct chain · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Multidrug transporter emre | protein | 102 | 74% helix, 0% strand | P23895 |
Ligands and binding sites
- VCJ · tetrakis(4-fluorophenyl)phosphanium · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 842 | 0.81 | 0.83 | 70 | VCJ |
| 2 | 59 | 0.33 | 0.76 | 16 | empty |
| 3 | 60 | 0.32 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1257 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7SFQ · EmrE S64V Mutant Bound to tetra(4-fluorophenyl)phosphonium at pH 8.0 · the same entry in another collection · chain B against B, TM-score 1.00
- P23895 · AlphaFold monomer V2.0 prediction for multidrug transporter emre (P23895) · a predicted model of the same protein · chain B against A, TM-score 0.70
- 2I68 · Cryo-EM based theoretical model structure of transmembrane domain of the… · a predicted model of the same protein · chain B against A, TM-score 0.52
- 2I68 · Cryo-EM based theoretical model structure of transmembrane domain of the… · a predicted model of the same protein · chain B against A, TM-score 0.52
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 P23895
- Elsewhere: RCSB PDB 7SFQ · PDBe 7SFQ · UniProt P23895
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