› 2zev

X-ray diffraction
2.23Å resolution

S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium, IPP and BPH-715

Released:
DOI: 10.2210/pdb2zev/pdb
PDB entry 2zev coloured by chain, front view.
PDB entry 2zev coloured by chain, side view.
PDB entry 2zev coloured by chain, top view.
Source organism: Saccharomyces cerevisiae
Primary publication:
Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
Zhang Y, Cao R, Yin F, Hudock MP, Guo RT, Krysiak K, Mukherjee S, Gao YG, Robinson H, Song Y, No JH, Bergan K, Leon A, Cass L, Goddard A, Chang TK, Lin FY, Van Beek E, Papapoulos S, Wang AH, Kubo T, Ochi M, Mukkamala D, Oldfield E
J Am Chem Soc 131 5153-62 (2009)
PMID: 19309137

Function and Biology Details

Reactions catalysed: 
Prenyl diphosphate + isopentenyl diphosphate = diphosphate + geranyl diphosphate
Geranyl diphosphate + isopentenyl diphosphate = diphosphate + (2E,6E)-farnesyl diphosphate
(2E,6E)-farnesyl diphosphate + isopentenyl diphosphate = diphosphate + geranylgeranyl diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-555740 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Geranylgeranyl pyrophosphate synthase BTS1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 340 amino acids
Theoretical weight: 39.3 KDa
Source organism: Saccharomyces cerevisiae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q12051 (Residues: 1-335; Coverage: 100%)
Gene names: BTS1, YPL069C
Sequence domains: Polyprenyl synthetase
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

3 bound ligands:
Ligand MG 4 x MG
Ligand B71 2 x B71
Ligand IPE 1 x IPE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL13B1
Spacegroup: P212121
Unit cell:
a: 47.822Å b: 115.879Å c: 128.336Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.2 0.257
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

17 review citations

The relationship between the chemistry and biological activity of the bisphosphonates.
Ebetino et al. (2011)
16 more

2 mentions without citation

Human isoprenoid synthase enzymes as therapeutic targets.
Park et al. (2014)
1 more