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Related entries of code: 3khj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ixhRCSB PDB    PDBbind361aa, >4IXH_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3khj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameC. parvum inosine monophosphate dehydrogenase
Ligand NameC64
EC.Number E.C.1.1.1.205
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)IC50=28nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Am.Chem.Soc. Vol. 132: pp. 1230-1231
Ligand Properties
Formula C18H13BrN4OS
Molecular Weight 413.291
Exact Mass 411.999
No. of atoms 38
No. of bonds 41
Polar Surface Area 88.05
LOGP Value 3.86      (Computed with XLOGP3)
4.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): Q5CPK7  
Entrez Gene IDNCBI Entrez Gene ID: 3375651  
ASDInformation of known allosteric effects of PDB entries
 
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