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Related entries of code: 4bhi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4bg1RCSB PDB    PDBbind387aa, >4BG1_1|Chain... at 100%
4bgkRCSB PDB    PDBbind387aa, >4BGK_1|Chain... at 100%
4bgmRCSB PDB    PDBbind387aa, >4BGM_1|Chain... at 100%
4bhfRCSB PDB    PDBbind387aa, >4BHF_1|Chain... at 100%
4c5wRCSB PDB    PDBbind387aa, >4C5W_1|Chain... at 100%
4c8rRCSB PDB    PDBbind388aa, >4C8R_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 ID4bhi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman gamma-butyrobetaine hydroxylase
Ligand NameRUJ
EC.Number E.C.1.14.11.1
Resolution 2.15(Å)
Affinity (Kd/Ki/IC50)IC50=90nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 2213-2236
Ligand Properties
Formula C7H18N2O2
Molecular Weight 162.230
Exact Mass 162.137
No. of atoms 29
No. of bonds 28
Polar Surface Area 41.74
LOGP Value -0.83      (Computed with XLOGP3)
-1.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 0
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): O75936  
Entrez Gene IDNCBI Entrez Gene ID: 8424  
ASDInformation of known allosteric effects of PDB entries

 
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