MolNFT v1 · #75817 · protein + DNA
Crystal structure of bmrr dimer bound to DNA and the ligand 4-amino- quinaldine
3Q1M · Multidrug-efflux transporter 1 regulator: “Crystal structure of bmrr dimer bound to DNA and the ligand 4-amino- quinaldine”. X-ray diffraction, 1 ligand (M4A), 2 pockets (best druggability 0.67). MolNFT v1 #75817 on GenesisL1: 3D…
- PDB
- 3Q1M
- Type
- protein + DNA
- Length
- 299 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidrug-efflux transporter 1 regulator; 23 bp promoter DNA
- UniProt
- P39075
- Ligands
- M4A
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Multidrug-efflux transporter 1 regulator | protein | 276 | 41% helix, 23% strand | P39075 |
| B | 23 bp promoter DNA | dna | 23 | — | — |
Ligands and binding sites
- M4A · 2-methylquinolin-4-amine · ligand · chains A
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 | 292 | 0.67 | 0.82 | 39 | empty |
| 2 | 185 | 0.54 | 0.79 | 28 | M4A |
Interfaces
1 interface between chains.
- A–B · 320 Ų buried · 10 hydrogen bonds · protein-nucleic
Compared structures
- 3Q1M · Crystal Structure of BmrR Dimer bound to DNA and the ligand 4-amino-quinaldine · 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 0.97
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 3Q1M · PDBe 3Q1M · UniProt P39075
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