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Related entries of code: 4g0k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4g0lRCSB PDB    PDBbind328aa, >4G0L_1|Chains... 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 ID4g0k
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameprotein yqjG
Ligand Name0VS
EC.Number E.C.1.8
Resolution 2.56(Å)
Affinity (Kd/Ki/IC50)Kd=4.3uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Biol.Chem. Vol. 287: pp. 35838-35848
Ligand Properties
Formula C21H27N3O8S
Molecular Weight 481.519
Exact Mass 481.152
No. of atoms 60
No. of bonds 61
Polar Surface Area 227.62
LOGP Value -3.24      (Computed with XLOGP3)
-1.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 11
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): P42620  
Entrez Gene IDNCBI Entrez Gene ID: 947615  
ASDInformation of known allosteric effects of PDB entries

 
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