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Related entries of code: 1g3m
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2g5uRCSB PDB    PDBbindPCQ

Entry Information
PDB ID1g3m
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameestrogen sulfotransferase
Ligand NamePCQ
EC.Number E.C.2.8.2.4
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)IC50=0.10nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Environ.Health Perspect. v111 pp. 884-8, 2003
Ligand Properties
Formula C12H6Cl4O2
Molecular Weight 323.987
Exact Mass 321.912
No. of atoms 24
No. of bonds 25
Polar Surface Area 40.46
LOGP Value 5.35      (Computed with XLOGP3)
5.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
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): P49888  
Entrez Gene IDNCBI Entrez Gene ID: 6783  
ASDInformation of known allosteric effects of PDB entries

 
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