› 3mk6

X-ray diffraction
1.98Å resolution

Substrate and Inhibitor Binding to Pank

Released:
DOI: 10.2210/pdb3mk6/pdb
PDB entry 3mk6 coloured by chain, front view.
PDB entry 3mk6 coloured by chain, side view.
PDB entry 3mk6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Modulation of pantothenate kinase 3 activity by small molecules that interact with the substrate/allosteric regulatory domain.
Leonardi R, Zhang YM, Yun MK, Zhou R, Zeng FY, Lin W, Cui J, Chen T, Rock CO, White SW, Jackowski S
Chem Biol 17 892-902 (2010)
PMID: 20797618

Function and Biology Details

Reaction catalysed: 
ATP + (R)-pantothenate = ADP + (R)-4'-phosphopantothenate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190695 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pantothenate kinase 3 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 376 amino acids
Theoretical weight: 41.66 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9H999 (Residues: 12-368; Coverage: 97%)
Gene name: PANK3
Sequence domains: Fumble
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand ACO 4 x ACO
Ligand GOL 8 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P21
Unit cell:
a: 56.709Å b: 180.38Å c: 77.419Å
α: 90° β: 95.48° γ: 90°
R-values:
R R work R free
0.188 0.185 0.232
Expression system: Escherichia coli BL21(DE3)

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Citations

5 review citations

Neurodegeneration with Brain Iron Accumulation: Genetic Diversity and Pathophysiological Mechanisms.
Meyer et al. (2015)
4 more

7 mentions without citation

Modulation of pantothenate kinase 3 activity by small molecules that interact with the substrate/allosteric regulatory domain.
Leonardi et al. (2010)
6 more