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Related entries of code: 3wcf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ezfRCSB PDB    PDBbind340aa, >1EZF_1|Chains... at 97%
3asxRCSB PDB    PDBbind340aa, >3ASX_1|Chain... at 98%
3v66RCSB PDB    PDBbind340aa, >3V66_1|Chain... at 98%
3vjcRCSB PDB    PDBbind343aa, >3VJC_1|Chains... at 98%
3wchRCSB PDB    PDBbind360aa, >3WCH_1|Chains... at 100%
3wciRCSB PDB    PDBbind360aa, >3WCI_1|Chains... at 100%
3wclRCSB PDB    PDBbind360aa, >3WCL_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3wcf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSqualene synthase, HsSQS
Ligand NameBH8
EC.Number E.C.2.5.1.21
Resolution 2.22(Å)
Affinity (Kd/Ki/IC50)IC50=0.053uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Plos Pathog. Vol. 10: pp. e1004114-e1004114
Ligand Properties
Formula C15H33N2O6P2
Molecular Weight 399.380
Exact Mass 399.181
No. of atoms 58
No. of bonds 58
Polar Surface Area 158.42
LOGP Value 0.70      (Computed with XLOGP3)
2.52      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 1
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P37268  
Entrez Gene IDNCBI Entrez Gene ID: 2222  
ASDInformation of known allosteric effects of PDB entries

 
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