Browse entries in the PDBbind-CN Database

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Related entries of code: 4bhf
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%
4bhiRCSB PDB    PDBbind387aa, >4BHI_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 ID4bhf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman gamma-butyrobetaine hydroxylase
Ligand NameMZT
EC.Number E.C.1.14.11.1
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)IC50=343uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 2213-2236
Ligand Properties
Formula C8H18NO2
Molecular Weight 160.234
Exact Mass 160.134
No. of atoms 29
No. of bonds 28
Polar Surface Area 37.3
LOGP Value 2.01      (Computed with XLOGP3)
0.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
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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