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Related entries of code: 4az0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4az3RCSB PDB    PDBbind155aa, >4AZ3_2|Chain... 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 ID4az0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLYSOSOMAL PROTECTIVE PROTEIN, Cathepsin A
Ligand NameS61
EC.Number E.C.3.4.16.5
Resolution 2.17(Å)
Affinity (Kd/Ki/IC50)IC50=0.038uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 7636-7649
Ligand Properties
Formula C20H18FN3O4
Molecular Weight 383.373
Exact Mass 383.128
No. of atoms 46
No. of bonds 48
Polar Surface Area 104.45
LOGP Value 4.41      (Computed with XLOGP3)
3.36      (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: 7
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): P10619  
Entrez Gene IDNCBI Entrez Gene ID: 5476  
ASDInformation of known allosteric effects of PDB entries
 
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