MolNFT v1 · #183712 · protein
Crystal structure of a parb E93A mutant from myxococcus xanthus bound to cdp and monothiophosphate
7O0N · Parb family protein: “Crystal structure of a parb E93A mutant from myxococcus xanthus bound to cdp and monothiophosphate”. X-ray diffraction, 3 ligands (CDP, TS6, MG), 3 pockets (best druggability 0.85). MolNFT v1 #183712 on…
- PDB
- 7O0N
- Type
- protein
- Length
- 388 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Parb family protein
- UniProt
- Q1CVJ4
- Ligands
- CDP, TS6, MG
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Parb family protein | protein | 194 | 57% helix, 12% strand | Q1CVJ4 |
Ligands and binding sites
- CDP · Cytidine-5'-diphosphate · ligand · 2 copies · chains A, B
- TS6 · Monothiophosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains B
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 356 | 0.85 | 0.94 | 55 | CDP, TS6, MG |
| 2 | 134 | 0.39 | 0.74 | 23 | empty |
| 3 | 101 | 0.39 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2486 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 7O0N · Crystal structure of a ParB E93A mutant from Myxococcus xanthus bound to CDP and… · 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 Q1CVJ4
- Elsewhere: RCSB PDB 7O0N · PDBe 7O0N · UniProt Q1CVJ4
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