Browse entries in the PDBbind-CN Database

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Related entries of code: 4nwk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3su0RCSB PDB    PDBbind198aa, >3SU0_1|Chain... at 96%
3su1RCSB PDB    PDBbind203aa, >3SU1_1|Chain... at 95%
3su2RCSB PDB    PDBbind203aa, >3SU2_1|Chain... at 95%
3su3RCSB PDB    PDBbind203aa, >3SU3_1|Chain... at 96%
3su4RCSB PDB    PDBbind203aa, >3SU4_1|Chains... at 95%
3su5RCSB PDB    PDBbind203aa, >3SU5_1|Chain... at 95%
3su6RCSB PDB    PDBbind203aa, >3SU6_1|Chain... at 95%
3sudRCSB PDB    PDBbind203aa, >3SUD_1|Chains... at 96%
3sueRCSB PDB    PDBbind203aa, >3SUE_1|Chains... at 96%
3sufRCSB PDB    PDBbind203aa, >3SUF_1|Chains... at 96%
3sugRCSB PDB    PDBbind203aa, >3SUG_1|Chain... at 95%
3sv6RCSB PDB    PDBbind203aa, >3SV6_1|Chain... at 96%
3sv7RCSB PDB    PDBbind203aa, >3SV7_1|Chain... at 96%
3sv8RCSB PDB    PDBbind203aa, >3SV8_1|Chain... at 96%
3sv9RCSB PDB    PDBbind203aa, >3SV9_1|Chain... at 96%
5epnRCSB PDB    PDBbind197aa, >5EPN_1|Chain... at 97%
5epyRCSB PDB    PDBbind198aa, >5EPY_1|Chain... at 96%
5eqqRCSB PDB    PDBbind190aa, >5EQQ_1|Chain... at 99%
5etxRCSB PDB    PDBbind194aa, >5ETX_1|Chains... at 98%
5vojRCSB PDB    PDBbind203aa, >5VOJ_1|Chain... at 96%
5vp9RCSB PDB    PDBbind203aa, >5VP9_1|Chain... at 96%
6bqjRCSB PDB    PDBbind219aa, >6BQJ_1|Chains... at 100%
6bqkRCSB PDB    PDBbind219aa, >6BQK_1|Chains... at 100%
6cvwRCSB PDB    PDBbind201aa, >6CVW_1|Chain... at 97%
6cvxRCSB PDB    PDBbind201aa, >6CVX_1|Chain... at 97%
6cvyRCSB PDB    PDBbind201aa, >6CVY_1|Chain... at 97%
6nztRCSB PDB    PDBbind203aa, >6NZT_1|Chain... at 96%
6nzvRCSB PDB    PDBbind203aa, >6NZV_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4nwk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHCV NS3 1a Protease
Ligand Name2R8
EC.Number E.C.-.-.-.-
Resolution 1.62(Å)
Affinity (Kd/Ki/IC50)IC50=2nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 1708-1729
Ligand Properties
Formula C35H47N5O9S
Molecular Weight 713.841
Exact Mass 713.309
No. of atoms 97
No. of bonds 101
Polar Surface Area 190.71
LOGP Value 4.30      (Computed with XLOGP3)
5.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 14
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): A8DG50  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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