Browse entries in the PDBbind-CN Database

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Related entries of code: 4mzs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4bs5RCSB PDB    PDBbind225aa, >4BS5_1|Chain... *
4bsqRCSB PDB    PDBbind225aa, >4BSQ_1|Chain... at 100%
4mzoRCSB PDB    PDBbind225aa, >4MZO_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 ID4mzs
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemouse Cathepsin S
Ligand Name2EV
EC.Number E.C.3.4.22.27
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)IC50=0.012uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 9789-9801
Ligand Properties
Formula C18H23ClN4O5S
Molecular Weight 442.917
Exact Mass 442.108
No. of atoms 52
No. of bonds 54
Polar Surface Area 128.25
LOGP Value -0.53      (Computed with XLOGP3)
1.65      (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: 9
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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