Browse entries in the PDBbind-CN Database

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Related entries of code: 3s3k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1pa9RCSB PDB    PDBbindCSN

Entry Information
PDB ID3s3k
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein phosphatase 10D
Ligand NameCSN
EC.Number E.C.3.1.3.48
Resolution 3.2(Å)
Affinity (Kd/Ki/IC50)Kd=97.69uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Biochemistry Vol. 50: pp. 10114−10125
Ligand Properties
Formula C6H7NO7S
Molecular Weight 237.187
Exact Mass 236.994
No. of atoms 22
No. of bonds 22
Polar Surface Area 161.27
LOGP Value 0.53      (Computed with XLOGP3)
2.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 1
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): P35992  
Entrez Gene IDNCBI Entrez Gene ID: 32115  
ASDInformation of known allosteric effects of PDB entries

 
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