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Related entries of code: 2xpk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2cbjRCSB PDB    PDBbind594aa, >2CBJ_1|Chains... *
2j62RCSB PDB    PDBbind594aa, >2J62_1|Chains... at 99%
2vurRCSB PDB    PDBbind594aa, >2VUR_1|Chains... at 100%
2wb5RCSB PDB    PDBbind594aa, >2WB5_1|Chains... at 99%
2x0yRCSB PDB    PDBbind594aa, >2X0Y_1|Chains... at 100%
6rheRCSB PDB    PDBbind592aa, >6RHE_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2xpk
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameO-GLCNACASE NAGJ
Ligand NameZ0M
EC.Number E.C.3.2.1.52
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=0.005nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Chem.Biol Vol. 17: pp. 1250-1255
Ligand Properties
Formula C19H25N3O4S
Molecular Weight 391.485
Exact Mass 391.157
No. of atoms 52
No. of bonds 54
Polar Surface Area 146.41
LOGP Value 0.04      (Computed with XLOGP3)
0.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
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): Q0TR53  
Entrez Gene IDNCBI Entrez Gene ID: 29571445  
ASDInformation of known allosteric effects of PDB entries

 
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