Browse entries in the PDBbind-CN Database

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Related entries of code: 3wcb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3wcgRCSB PDB    PDBbind365aa, >3WCG_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3wchRCSB PDB    PDBbind8PH

Entry Information
PDB ID3wcb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameenzyme squalene synthase, TcSQS
Ligand Name8PH
EC.Number E.C.2.5.1.21
Resolution 3(Å)
Affinity (Kd/Ki/IC50)IC50=0.018uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Plos Pathog. Vol. 10: pp. e1004114-e1004114
Ligand Properties
Formula C15H33N2O7P2
Molecular Weight 415.379
Exact Mass 415.176
No. of atoms 59
No. of bonds 59
Polar Surface Area 178.65
LOGP Value -0.07      (Computed with XLOGP3)
1.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 9
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): Q4CWB4  
Entrez Gene IDNCBI Entrez Gene ID: 3536425  
ASDInformation of known allosteric effects of PDB entries

 
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