› 6au0

X-ray diffraction
2.1Å resolution

Crystal structure of PPK2 (Class III) in complex with bisphosphonate inhibitor (2-((3,5-dichlorophenyl)amino)ethane-1,1-diyl)diphosphonic acid

Released:
DOI: 10.2210/pdb6au0/pdb
Model geometry
Fit model/data
PDB entry 6au0 coloured by chain, front view.
PDB entry 6au0 coloured by chain, side view.
PDB entry 6au0 coloured by chain, top view.
Source organism: Cytophaga hutchinsonii ATCC 33406
Primary publication:
Structural Insights into Substrate Selectivity and Activity of Bacterial Polyphosphate Kinases
Nocek B, Khusnutdinova AN, Ruszkowski M, Flick R, Burda M, Batyrova K, Brown G, Mucha A, Joachimiak A, Berlicki L, Yakunin AF
ACS Catalysis 8 10746-10760 (2018)

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-166428 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Polyphosphate:AMP phosphotransferase Chain: A
Molecule details ›
Chain: A
Length: 308 amino acids
Theoretical weight: 35.58 KDa
Source organism: Cytophaga hutchinsonii ATCC 33406
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

2 bound ligands:
Ligand BWJ 1 x BWJ
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 19-ID
Spacegroup: I4122
Unit cell:
a: 109.355Å b: 109.355Å c: 179.737Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.182 0.22
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

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