› 4k10

X-ray diffraction
2.3Å resolution

Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM and Mg2+

Released:
DOI: 10.2210/pdb4k10/pdb
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PDB entry 4k10 coloured by chain, front view.
PDB entry 4k10 coloured by chain, side view.
PDB entry 4k10 coloured by chain, top view.
Source organism: Leishmania major
Primary publication:
Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Aripirala S, Gonzalez-Pacanowska D, Oldfield E, Kaiser M, Amzel LM, Gabelli SB
Acta Crystallogr D Biol Crystallogr 70 802-10 (2014)
PMID: 24598749

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175690 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Farnesyl pyrophosphate synthase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 362 amino acids
Theoretical weight: 41.02 KDa
Source organism: Leishmania major
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q4QBL1 (Residues: 1-362; Coverage: 100%)
Gene names: FPPS, LMJF_22_1360, geranyltranstransferase
Sequence domains: Polyprenyl synthetase
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

6 bound ligands:
Ligand NA 6 x NA
Ligand MG 8 x MG
Ligand NI9 4 x NI9
Ligand PEG 1 x PEG
Ligand ACT 2 x ACT
Ligand MES 1 x MES
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P212121
Unit cell:
a: 60.168Å b: 143.743Å c: 194.333Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.235 0.233 0.276
Expression system: Escherichia coli BL21(DE3)

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Citations

5 review citations

Carbonic anhydrases from Trypanosoma and Leishmania as anti-protozoan drug targets.
Vermelho et al. (2017)
4 more

4 mentions without citation

The Potential of Secondary Metabolites from Plants as Drugs or Leads against Protozoan Neglected Diseases-Part III: In-Silico Molecular Docking Investigations.
Ogungbe et al. (2016)
3 more

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