Research workbench
Multidrug resistance transporter bmra mutant E504A bound with ATP, mg, and rhodamine 6G solved by cryo-EM
Analyse Multidrug resistance transporter bmra mutant E504A bound with ATP, mg, and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7BG4
- Type
- protein
- Length
- 1,141 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipid a export ATP-BINDING/PERMEASE protein msba
- EC
- 3.6.3.-
- UniProt
- A0A164TVX9
- Ligands
- ATP, RHQ, MG
- Pockets
- 16 · best druggability 0.83
Structure
electron microscopy · 2 distinct chains · 58% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipid a export ATP-BINDING/PERMEASE protein msba (EC 3.6.3.-) | protein | 572 | 58% helix, 7% strand | A0A164TVX9 |
| B | Lipid a export ATP-BINDING/PERMEASE protein msba (EC 3.6.3.-) | protein | 569 | 59% helix, 8% strand | A0A164TVX9 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- RHQ · Rhodamine 6G · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 904 | 0.83 | 0.84 | 110 | RHQ |
| 2 | 763 | 0.79 | 0.82 | 85 | RHQ |
| 3 | 192 | 0.79 | 0.94 | 43 | empty |
| 4 | 590 | 0.75 | 0.82 | 77 | ATP |
| 5 | 680 | 0.74 | 0.80 | 86 | ATP, MG |
Interfaces
1 interface between chains.
- A–B · 7360 Ų buried · 60 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 covalent (covalent ligand).
Compared structures
- 7BG4 · Multidrug resistance transporter BmrA mutant E504A bound with ATP, Mg, and Rhodamine 6G… · 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 A0A164TVX9
- Elsewhere: RCSB PDB 7BG4 · PDBe 7BG4 · UniProt A0A164TVX9
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