Research workbench
Crystal structure of the AG(I) (activator) form of E. COLI cuer, a copper efflux regulator, bound to copa promoter DNA
Analyse Crystal structure of the AG(I) (activator) form of E. COLI cuer, a copper… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WLW
- Type
- protein + DNA
- Length
- 176 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator cuer; DNA non-template strand (5-D(*DGP*DAP*DCP*DCP…
- UniProt
- P0A9G4
- Ligands
- AG
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 3 distinct chains · 64% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator cuer | protein | 130 | 64% helix, 2% strand | P0A9G4 |
| X | DNA non-template strand (5-D(*DGP*DAP*DCP*DCP *DTP*DTP*DCP*DCP*DCP*DCP*DTP*DTP*DGP*DCP*DTP*DGP*DGP*DAP *DAP*DGP*DGP*DTP*DC)-3 | dna | 23 | — | — |
| Y | DNA template strand (5-D(*DGP*DAP*DCP*DCP*DTP *DTP*DCP*DCP*DAP*DGP*DCP*DAP*DAP*DGP*DGP*DGP*DGP*DAP*DAP *DGP*DGP*DTP*DC)-3 | dna | 23 | — | — |
Ligands and binding sites
- AG · Silver ion · metal · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 325 | 0.56 | 0.76 | 27 | empty |
| 2 | 95 | 0.33 | 0.73 | 14 | empty |
Interfaces
3 interfaces between chains.
- X–Y · 1008 Ų buried · 92 hydrogen bonds · nucleic-nucleic
- A–X · 457 Ų buried · 11 hydrogen bonds · protein-nucleic
- A–Y · 317 Ų buried · 11 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 4WLW · Crystal structure of the AG(I) (activator) form of E. COLI cuer, a copper efflux… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A9G4 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator cuer (P0A9G4) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P0A9G4
- Elsewhere: RCSB PDB 4WLW · PDBe 4WLW · UniProt P0A9G4
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