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Related entries of code: 5cr7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4h4bRCSB PDB    PDBbind555aa, >4H4B_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5cr7
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCytosolic purine 5'-nucleotidase
Ligand Name5WO
EC.Number E.C.3.1.3.5
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)Ki=0.79mM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 9680-9696
Ligand Properties
Formula C22H16N6O
Molecular Weight 380.402
Exact Mass 380.139
No. of atoms 45
No. of bonds 49
Polar Surface Area 88.49
LOGP Value 3.30      (Computed with XLOGP3)
4.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
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): P49902  
Entrez Gene IDNCBI Entrez Gene ID: 22978  
ASDInformation of known allosteric effects of PDB entries

 
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