Browse entries in the PDBbind-CN Database

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Related entries of code: 3qce
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3qcfRCSB PDB    PDBbind310aa, >3QCF_1|Chains... at 100%
3qchRCSB PDB    PDBbind310aa, >3QCH_1|Chain... at 100%
3qciRCSB PDB    PDBbind310aa, >3QCI_1|Chain... at 100%
3qcjRCSB PDB    PDBbind310aa, >3QCJ_1|Chain... at 100%
3qckRCSB PDB    PDBbind310aa, >3QCK_1|Chain... at 100%
3qclRCSB PDB    PDBbind310aa, >3QCL_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3qcfRCSB PDB    PDBbindNXY

Entry Information
PDB ID3qce
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameReceptor-type tyrosine-protein phosphatase gamma
Ligand NameNXY
EC.Number E.C.3.1.3.48
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=2.5uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Med.Chem. Vol. 54: pp. 6548-6562
Ligand Properties
Formula C12H8Cl2O2S2
Molecular Weight 319.227
Exact Mass 317.934
No. of atoms 26
No. of bonds 27
Polar Surface Area 90.84
LOGP Value 5.51      (Computed with XLOGP3)
5.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
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): P23470  
Entrez Gene IDNCBI Entrez Gene ID: 5793  
ASDInformation of known allosteric effects of PDB entries

 
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