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Related entries of code: 5dgj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ur9RCSB PDB    PDBbind188aa, >3UR9_1|Chains... *
4imqRCSB PDB    PDBbind183aa, >4IMQ_1|Chain... at 98%
4imzRCSB PDB    PDBbind183aa, >4IMZ_1|Chain... at 98%
4inhRCSB PDB    PDBbind185aa, >4INH_1|Chains... at 97%
4xbbRCSB PDB    PDBbind188aa, >4XBB_1|Chain... at 100%
4xbdRCSB PDB    PDBbind188aa, >4XBD_1|Chains... at 100%
5dg6RCSB PDB    PDBbind188aa, >5DG6_1|Chains... at 98%
5e0gRCSB PDB    PDBbind188aa, >5E0G_1|Chain... at 98%
5e0hRCSB PDB    PDBbind188aa, >5E0H_1|Chains... at 98%
5e0jRCSB PDB    PDBbind188aa, >5E0J_1|Chain... at 98%
5t6fRCSB PDB    PDBbind188aa, >5T6F_1|Chains... at 98%
5t6gRCSB PDB    PDBbind188aa, >5T6G_1|Chains... at 98%
5tg1RCSB PDB    PDBbind188aa, >5TG1_1|Chain... at 98%
5tg2RCSB PDB    PDBbind188aa, >5TG2_1|Chain... at 98%
5wejRCSB PDB    PDBbind188aa, >5WEJ_1|Chains... at 98%
6bidRCSB PDB    PDBbind188aa, >6BID_1|Chain... at 98%
6bicRCSB PDB    PDBbind188aa, >6BIC_1|Chains... at 98%
6bibRCSB PDB    PDBbind188aa, >6BIB_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5dgj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNorovirus 3CL protease (NV 3-CLpro)
Ligand NameV64
EC.Number E.C.3.4.22.66
Resolution 1(Å)
Affinity (Kd/Ki/IC50)IC50=18.5uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 1899-1913
Ligand Properties
Formula C24H44N4O6
Molecular Weight 484.629
Exact Mass 484.326
No. of atoms 78
No. of bonds 78
Polar Surface Area 145.86
LOGP Value 2.67      (Computed with XLOGP3)
3.31      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 10
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): Q83883  
Entrez Gene IDNCBI Entrez Gene ID: 1491970  
ASDInformation of known allosteric effects of PDB entries
 
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