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Related entries of code: 1i5r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3hb4RCSB PDB    PDBbind327aa, >3HB4_1|Chain... at 99%
6mncRCSB PDB    PDBbind328aa, >6MNC_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1i5r
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namebeta-hydroxysteroid dehydrogenase
Ligand NameHYC
EC.Number E.C.1.1.1.62
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Ki=3.0nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference FASEB J. v16 pp. 1829-31, 2002
Ligand Properties
Formula C37H51N5O7
Molecular Weight 677.830
Exact Mass 677.379
No. of atoms 100
No. of bonds 106
Polar Surface Area 186.07
LOGP Value 5.05      (Computed with XLOGP3)
5.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 7
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): P14061  
Entrez Gene IDNCBI Entrez Gene ID: 3292  
ASDInformation of known allosteric effects of PDB entries

 
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