Browse entries in the PDBbind-CN Database

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Related entries of code: 3hkw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3hkyRCSB PDB    PDBbindIX6

Entry Information
PDB ID3hkw
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHCV NS5B RNA-dependent RNA polymerase genotype 1a
Ligand NameIX6
EC.Number E.C.2.7.7.48
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)Kd=2.3nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Virol. Vol. 84: pp. 2923-2934
Ligand Properties
Formula C30H32FN3O6S
Molecular Weight 581.655
Exact Mass 581.200
No. of atoms 73
No. of bonds 77
Polar Surface Area 130.35
LOGP Value 5.34      (Computed with XLOGP3)
7.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
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): P26664  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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