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Related entries of code: 2zu3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5bpeRCSB PDB    PDBbind180aa, >5BPE:A|PDBID|CHAIN|... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2zu4RCSB PDB    PDBbindZU3

Entry Information
PDB ID2zu3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCVB3 3C protease(coxsackievirus,CV)
Ligand NameZU3
EC.Number E.C.3.4.22.-
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Ki=0.8uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Biol.Chem. Vol. 284: pp. 7646-7655
Ligand Properties
Formula C32H49N5O7
Molecular Weight 615.761
Exact Mass 615.363
No. of atoms 93
No. of bonds 94
Polar Surface Area 171.8
LOGP Value 2.45      (Computed with XLOGP3)
4.25      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 12
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): P03313  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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