Research workbench
Crystal structure of E253A mutant of bmrr bound to 22-bp oligonucleotide
Analyse Crystal structure of E253A mutant of bmrr bound to 22-bp oligonucleotide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3D70
- Type
- protein + DNA
- Length
- 299 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bmr promoter DNA; Multidrug-efflux transporter 1 regulator
- UniProt
- P39075
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bmr promoter DNA | protein | 276 | 42% helix, 23% strand | P39075 |
| B | Multidrug-efflux transporter 1 regulator | dna | 23 | — | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 207 | 0.64 | 0.83 | 30 | empty |
| 2 | 178 | 0.51 | 0.77 | 26 | IMD, GOL |
Interfaces
1 interface between chains.
- A–B · 372 Ų buried · 11 hydrogen bonds · protein-nucleic
Compared structures
- 3D70 · Crystal structure of E253A mutant of BMRR bound to 22-bp oligonucleotide · 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 0.98
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 3D70 · PDBe 3D70 · UniProt P39075
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