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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
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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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