MolNFT v1 · #56736 · protein
Crystal structure of the ethidium-bound form of the multi-drug binding transcriptional repressor cgmr
2ZOZ · Transcriptional regulator: “Crystal structure of the ethidium-bound form of the multi-drug binding transcriptional repressor cgmr”. X-ray diffraction, 2 ligands (ET, SO4), 6 pockets (best druggability 0.74). MolNFT v1 #56736 on…
- PDB
- 2ZOZ
- Type
- protein
- Length
- 353 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator
- UniProt
- Q8NMG3
- Ligands
- ET, SO4
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator | protein | 172 | 76% helix, 0% strand | Q8NMG3 |
| B | Transcriptional regulator | protein | 181 | 71% helix, 0% strand | Q8NMG3 |
Ligands and binding sites
- ET · Ethidium · ligand · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 188 | 0.74 | 0.90 | 28 | ET |
| 2 | 198 | 0.61 | 0.82 | 32 | GOL |
| 3 | 122 | 0.55 | 0.83 | 24 | GOL |
| 4 | 89 | 0.43 | 0.79 | 17 | empty |
| 5 | 68 | 0.36 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 2006 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 2ZOZ · Crystal structure of the ethidium-bound form of the multi-drug binding transcriptional… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q8NMG3
- Elsewhere: RCSB PDB 2ZOZ · PDBe 2ZOZ · UniProt Q8NMG3
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