› 3wcf

X-ray diffraction
2.22Å resolution

The complex structure of HsSQS wtih ligand,BPH1218

Released:
DOI: 10.2210/pdb3wcf/pdb
PDB entry 3wcf coloured by chain, front view.
PDB entry 3wcf coloured by chain, side view.
PDB entry 3wcf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Squalene synthase as a target for Chagas disease therapeutics.
Shang N, Li Q, Ko TP, Chan HC, Li J, Zheng Y, Huang CH, Ren F, Chen CC, Zhu Z, Galizzi M, Li ZH, Rodrigues-Poveda CA, Gonzalez-Pacanowska D, Veiga-Santos P, de Carvalho TM, de Souza W, Urbina JA, Wang AH, Docampo R, Li K, Liu YL, Oldfield E, Guo RT
PLoS Pathog 10 e1004114 (2014)
PMID: 24789335

Function and Biology Details

Reaction catalysed: 
(1a) 2 farnesyl diphosphate = diphosphate + presqualene diphosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo hexamer
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153386 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Squalene synthase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 360 amino acids
Theoretical weight: 41.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P37268 (Residues: 31-370; Coverage: 82%)
Gene name: FDFT1
Sequence domains: Squalene/phytoene synthase
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

1 bound ligand:
Ligand BH8 6 x BH8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL13C1
Spacegroup: P21
Unit cell:
a: 85.18Å b: 153.19Å c: 90.11Å
α: 90° β: 92.37° γ: 90°
R-values:
R R work R free
0.204 0.204 0.224
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Drug strategies targeting CYP51 in neglected tropical diseases.
Choi et al. (2014)
7 more

2 mentions without citation

Unveiling the Therapeutic Potential of Squalene Synthase: Deciphering Its Biochemical Mechanism, Disease Implications, and Intriguing Ties to Ferroptosis.
Picón et al. (2023)
1 more