Browse entries in the PDBbind-CN Database

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Related entries of code: 4c8r
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%
4bhiRCSB PDB    PDBbind387aa, >4BHI_1|Chain... at 100%
4c5wRCSB PDB    PDBbind387aa, >4C5W_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 ID4c8r
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman gamma-butyrobetaine dioxygenase (BBOX1)
Ligand Name6YT
EC.Number E.C.1.14.11.1
Resolution 2.82(Å)
Affinity (Kd/Ki/IC50)IC50=153nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Chem.Sci. Vol. 5: pp. 1765-1771
Ligand Properties
Formula C15H15N3O4S
Molecular Weight 333.362
Exact Mass 333.078
No. of atoms 38
No. of bonds 39
Polar Surface Area 137.71
LOGP Value 2.28      (Computed with XLOGP3)
1.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
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): O75936  
Entrez Gene IDNCBI Entrez Gene ID: 8424  
ASDInformation of known allosteric effects of PDB entries

 
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