MolNFT v1 · #32387 · protein
Multidrug-binding domain of transcription activator bmrr in complex with a ligand, tetraphenylphosphonium
2BOW · Multidrug-efflux transporter 1 regulator bmrr: “Multidrug-binding domain of transcription activator bmrr in complex with a ligand, tetraphenylphosphonium”. X-ray diffraction, 3 ligands (P4P, MN, SO4), 1 pocket (best druggability…
- PDB
- 2BOW
- Type
- protein
- Length
- 130 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidrug-efflux transporter 1 regulator bmrr
- UniProt
- P39075
- Ligands
- P4P, MN, SO4
- Pockets
- 1 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Multidrug-efflux transporter 1 regulator bmrr | protein | 130 | 18% helix, 38% strand | P39075 |
Ligands and binding sites
- P4P · Tetraphenylphosphonium · ligand · chains A
- MN · Manganese (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.53 | 0.81 | 21 | empty |
Compared structures
- 2BOW · Multidrug-binding domain of transcription activator bmrr in complex with a ligand… · the same entry in another collection · chain A against A, TM-score 1.00
- P39075 · AlphaFold monomer V2.0 prediction for multidrug-efflux transporter 1 regulator (P39075) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P39075
- Elsewhere: RCSB PDB 2BOW · PDBe 2BOW · UniProt P39075
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