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Related entries of code: 6pya
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1d2sRCSB PDB    PDBbind170aa, >1D2S_1|Chain... at 99%
1kdkRCSB PDB    PDBbind177aa, >1KDK_1|Chain... at 99%
1lhuRCSB PDB    PDBbind189aa, >1LHU_1|Chain... at 99%
1lhvRCSB PDB    PDBbind189aa, >1LHV_1|Chain... at 99%
1lhwRCSB PDB    PDBbind189aa, >1LHW_1|Chain... at 99%
6pybRCSB PDB    PDBbind205aa, >6PYB_1|Chain... 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 ID6pya
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSex Hormone-binding globulin mutant E176K
Ligand NameP57
EC.Number E.C.-.-.-.-
Resolution 1.71(Å)
Affinity (Kd/Ki/IC50)IC50=150nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2020) J.Biol.Chem. Vol. 295: pp. 1202-1211
Ligand Properties
Formula C18H15N3
Molecular Weight 273.332
Exact Mass 273.127
No. of atoms 36
No. of bonds 39
Polar Surface Area 33.61
LOGP Value 3.40      (Computed with XLOGP3)
4.08      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 4
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): P04278  
Entrez Gene IDNCBI Entrez Gene ID: 6462  
ASDInformation of known allosteric effects of PDB entries

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