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Related entries of code: 3v4j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1qzgRCSB PDB    PDBbind187aa, >1QZG_2|Chains... at 90%
6buxRCSB PDB    PDBbind199aa, >6BUX_1|Chain... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3v4j
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSingle-strand DNA Cytosine Deaminase APOBEC3G, A3G-191-384-2K3A
Ligand NamePQR
EC.Number E.C.3.5.4.14
Resolution 2.04(Å)
Affinity (Kd/Ki/IC50)IC50=9.1uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Acs Chem.Biol. Vol. 7: pp. 506-517
Ligand Properties
Formula C7H7N2O3
Molecular Weight 167.142
Exact Mass 167.046
No. of atoms 19
No. of bonds 19
Polar Surface Area 79.09
LOGP Value 0.19      (Computed with XLOGP3)
0.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
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): Q9HC16  
Entrez Gene IDNCBI Entrez Gene ID: 60489  
ASDInformation of known allosteric effects of PDB entries
 
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