Research workbench
Structure of emre-D3 mutant in complex with monobody L10 and benzyltrimethylammonium
Analyse Structure of emre-D3 mutant in complex with monobody L10 and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7T00
- Type
- protein
- Length
- 383 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidrug transporter emre; L10 monobody
- UniProt
- P23895
- Ligands
- E00
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Multidrug transporter emre | protein | 103 | 75% helix, 1% strand | P23895 |
| C | L10 monobody | protein | 90 | 3% helix, 51% strand | — |
| B | Multidrug transporter emre | protein | 102 | 74% helix, 1% strand | P23895 |
| D | L10 monobody | protein | 88 | 3% helix, 56% strand | — |
Ligands and binding sites
- E00 · benzyltrimethylammonium · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 609 | 0.77 | 0.82 | 61 | E00 |
| 2 | 115 | 0.54 | 0.83 | 24 | empty |
| 3 | 84 | 0.47 | 0.81 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1500 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 378 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 358 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7T00 · Structure of EmrE-D3 mutant in complex with monobody L10 and benzyltrimethylammonium · 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 0.82
- 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 0.62
- 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 0.62
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 7T00 · PDBe 7T00 · UniProt P23895
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