Browse entries in the PDBbind-CN Database

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Related entries of code: 4bsq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4bs5RCSB PDB    PDBbind225aa, >4BS5_1|Chain... *
4mzoRCSB PDB    PDBbind225aa, >4MZO_1|Chains... at 100%
4mzsRCSB PDB    PDBbind225aa, >4MZS_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4bsq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCATHEPSIN S
Ligand NameQQV
EC.Number E.C.3.4.22.27
Resolution 1.96(Å)
Affinity (Kd/Ki/IC50)IC50=0.7nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 9789-9801
Ligand Properties
Formula C19H25N3O5S
Molecular Weight 407.484
Exact Mass 407.151
No. of atoms 53
No. of bonds 55
Polar Surface Area 125.01
LOGP Value -0.29      (Computed with XLOGP3)
1.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
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): O70370  
Entrez Gene IDNCBI Entrez Gene ID: 13040  
ASDInformation of known allosteric effects of PDB entries

 
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