Browse entries in the PDBbind-CN Database

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Related entries of code: 3c2r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3c2fRCSB PDB    PDBbind294aa, >3C2F_1|Chain... at 100%
3c2oRCSB PDB    PDBbind294aa, >3C2O_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4kwwRCSB PDB    PDBbindPHT

Entry Information
PDB ID3c2r
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameQAPRTase
Ligand NamePHT
EC.Number E.C.2.4.2.19
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Kd=0.78mM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Biochemistry Vol. 47: pp. 4039-4050
Ligand Properties
Formula C8H6O4
Molecular Weight 166.131
Exact Mass 166.027
No. of atoms 18
No. of bonds 18
Polar Surface Area 74.6
LOGP Value 3.14      (Computed with XLOGP3)
1.08      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
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): P43619  
Entrez Gene IDNCBI Entrez Gene ID: 850608  
ASDInformation of known allosteric effects of PDB entries

 
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