Browse entries in the PDBbind-CN Database

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Related entries of code: 4ojq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2k1qRCSB PDB    PDBbind186aa, >2K1Q_1|Chain... at 95%
4b6eRCSB PDB    PDBbind683aa, >4B6E_1|Chains... *
4b6fRCSB PDB    PDBbind683aa, >4B6F_1|Chains... at 100%
4b71RCSB PDB    PDBbind666aa, >4B71_1|Chains... at 100%
4b73RCSB PDB    PDBbind666aa, >4B73_1|Chains... at 100%
4b74RCSB PDB    PDBbind666aa, >4B74_1|Chains... at 100%
4b76RCSB PDB    PDBbind666aa, >4B76_1|Chains... at 100%
4ok3RCSB PDB    PDBbind464aa, >4OK3_1|Chains... at 91%
4ok5RCSB PDB    PDBbind464aa, >4OK5_1|Chains... at 91%
4ok6RCSB PDB    PDBbind464aa, >4OK6_1|Chains... at 91%
4oksRCSB PDB    PDBbind464aa, >4OKS_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4ojq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine protease NS3
Ligand Name2SX
EC.Number E.C.-.-.-.-
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)IC50=500uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 2074-2090
Ligand Properties
Formula C10H8BrNO2
Molecular Weight 254.080
Exact Mass 252.974
No. of atoms 22
No. of bonds 23
Polar Surface Area 53.09
LOGP Value 3.65      (Computed with XLOGP3)
2.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
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): K4KA16  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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