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Related entries of code: 4bqs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1we2RCSB PDB    PDBbind176aa, >1WE2_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4bqs
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameSHIKIMATE KINASE
Ligand NameK2Q
EC.Number E.C.2.7.1.71
Resolution 2.15(Å)
Affinity (Kd/Ki/IC50)Ki=62uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Am.Chem.Soc. Vol. 135: pp. 12366-12376
Ligand Properties
Formula C10H12O5
Molecular Weight 212.199
Exact Mass 212.068
No. of atoms 27
No. of bonds 28
Polar Surface Area 86.99
LOGP Value -0.25      (Computed with XLOGP3)
-0.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
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): P9WPY3  
Entrez Gene IDNCBI Entrez Gene ID: 887434  
ASDInformation of known allosteric effects of PDB entries

 
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