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Related entries of code: 16pk
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID16pk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namephosphoglycerate kinase
Ligand NameBIS
EC.Number E.C.2.7.2.3
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Ki=6uM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v279 pp. 1137-48, 1998
Ligand Properties
Formula C15H25F4N5O12P3
Molecular Weight 636.300
Exact Mass 636.065
No. of atoms 64
No. of bonds 66
Polar Surface Area 320.15
LOGP Value -3.70      (Computed with XLOGP3)
0.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 17
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): P07378  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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