Research workbench
Crystal structure of the metal-free (repressor) form of E. COLI cuer, a copper efflux regulator, bound to copa promoter DNA
Analyse Crystal structure of the metal-free (repressor) 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
- 4WLS
- Type
- protein + DNA
- Length
- 326 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator cuer; Copa promoter DNA non-template strand; Copa…
- UniProt
- P0A9G4
- Pockets
- 4 · best druggability 0.59
Structure
x-ray diffraction · 5 distinct chains · 68% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hth-type transcriptional regulator cuer | protein | 111 | 68% helix, 4% strand | P0A9G4 |
| X | Copa promoter DNA non-template strand | dna | 26 | — | — |
| Y | Copa promoter DNA template strand | dna | 26 | — | — |
| U | Copa promoter DNA template strand (alternate conformation) | dna | 26 | — | — |
| V | Copa promoter DNA non-template strand (alternate conformation) | dna | 26 | — | — |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 481 | 0.59 | 0.75 | 50 | empty |
| 2 | 256 | 0.52 | 0.76 | 44 | empty |
| 3 | 144 | 0.46 | 0.77 | 28 | empty |
| 4 | 84 | 0.30 | 0.72 | 23 | empty |
Interfaces
15 interfaces between chains.
- A–B · 1666 Ų buried · 13 hydrogen bonds · protein-protein
- Y–V · 1245 Ų buried · 646 hydrogen bonds · nucleic-nucleic
- X–U · 1222 Ų buried · 629 hydrogen bonds · nucleic-nucleic
- Y–U · 1153 Ų buried · 149 hydrogen bonds · nucleic-nucleic
- U–V · 1146 Ų buried · 122 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 4WLS · Crystal structure of the metal-free (repressor) form of E. Coli CUER, a copper efflux… · the same entry in another collection · chain V against V, 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 0.75
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 4WLS · PDBe 4WLS · UniProt P0A9G4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.