Research workbench
Mexr R21W derepressor mutant causing multidrug resistance in P. aeruginosa by mexab-oprm efflux pump expression
Analyse Mexr R21W derepressor mutant causing multidrug resistance in P. aeruginosa by… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZZL
- Type
- protein
- Length
- 281 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidrug resistance operon repressor
- UniProt
- P52003
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 63% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Multidrug resistance operon repressor | protein | 146 | 60% helix, 7% strand | P52003 |
| B | Multidrug resistance operon repressor | protein | 135 | 67% helix, 12% strand | P52003 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, B
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 | 696 | 0.77 | 0.82 | 72 | GOL |
| 2 | 116 | 0.60 | 0.85 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 2539 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 4ZZL · MexR R21W derepressor mutant causing multidrug resistance in P. aeruginosa by mexAB-oprM… · the same entry in another collection · chain A against A, TM-score 1.00
- P52003 · AlphaFold monomer V2.0 prediction for multidrug resistance operon repressor (P52003) · a predicted model of the same protein · chain B 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 P52003
- Elsewhere: RCSB PDB 4ZZL · PDBe 4ZZL · UniProt P52003
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.