MolNFT v1 · #187712 · protein
Structure of emre-D3 mutant in complex with monobody L10 and methyltriphenylphosphonium
7SSU · Multidrug transporter emre: “Structure of emre-D3 mutant in complex with monobody L10 and methyltriphenylphosphonium”. X-ray diffraction, 1 ligand (B5J), 2 pockets (best druggability 0.81). MolNFT v1 #187712 on GenesisL1: 3D…
- PDB
- 7SSU
- Type
- protein
- Length
- 384 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidrug transporter emre; L10 monobody
- UniProt
- P23895
- Ligands
- B5J
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Multidrug transporter emre | protein | 103 | 71% helix, 1% strand | P23895 |
| C | L10 monobody | protein | 90 | 3% helix, 47% strand | — |
| B | Multidrug transporter emre | protein | 102 | 75% helix, 1% strand | P23895 |
| D | L10 monobody | protein | 89 | 7% helix, 55% strand | — |
Ligands and binding sites
- B5J · methyltriphenylphosphonium · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 721 | 0.81 | 0.84 | 52 | B5J |
| 2 | 103 | 0.45 | 0.79 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1483 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 399 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 379 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 7SSU · Structure of EmrE-D3 mutant in complex with monobody L10 and methyltriphenylphosphonium · the same entry in another collection · chain A against A, TM-score 1.00
- P23895 · AlphaFold monomer V2.0 prediction for multidrug transporter emre (P23895) · a predicted model of the same protein · chain A against A, TM-score 0.85
- 2I68 · Cryo-EM based theoretical model structure of transmembrane domain of the… · a predicted model of the same protein · chain A against A, TM-score 0.63
- 2I68 · Cryo-EM based theoretical model structure of transmembrane domain of the… · a predicted model of the same protein · chain A against A, TM-score 0.63
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 7SSU · PDBe 7SSU · UniProt P23895
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