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Related entries of code: 5kqd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6b3vRCSB PDB    PDBbind380aa, >6B3V_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5kqd
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePantothenate kinase 3, PANK3
Ligand NamePKZ
EC.Number E.C.2.7.1.33
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=0.5uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Biol.Chem. Vol. 291: pp. 22302-22314
Ligand Properties
Formula C33H61N7O17P3S
Molecular Weight 952.860
Exact Mass 952.306
No. of atoms 122
No. of bonds 124
Polar Surface Area 439.18
LOGP Value -0.81      (Computed with XLOGP3)
2.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 33
No. of Nitrogen and Oxygen Atoms: 24
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): Q9H999  
Entrez Gene IDNCBI Entrez Gene ID: 79646  
ASDInformation of known allosteric effects of PDB entries

 
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