Research workbench
Multidrug resistance transporter bmra mutant E504A bound with ATP and mg solved by cryo-EM
Analyse Multidrug resistance transporter bmra mutant E504A bound with ATP and mg solved… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6R81
- 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
- UniProt
- A0A164TVX9
- Ligands
- ATP, MG
- Pockets
- 19 · best druggability 0.88
Structure
electron microscopy · 2 distinct chains · 56% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipid a export ATP-BINDING/PERMEASE protein msba | protein | 572 | 56% helix, 8% strand | A0A164TVX9 |
| B | Lipid a export ATP-BINDING/PERMEASE protein msba | protein | 569 | 55% helix, 8% strand | A0A164TVX9 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · 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
19 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1189 | 0.88 | 0.90 | 164 | ATP |
| 2 | 777 | 0.84 | 0.86 | 100 | empty |
| 3 | 743 | 0.77 | 0.81 | 75 | empty |
| 4 | 145 | 0.72 | 0.91 | 28 | empty |
| 5 | 184 | 0.71 | 0.88 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 7144 Ų buried · 60 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 covalent (covalent ligand).
Compared structures
- 6R81 · Multidrug resistance transporter BmrA mutant E504A bound with ATP and Mg solved by Cryo-EM · 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 6R81 · PDBe 6R81 · UniProt A0A164TVX9
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