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Related entries of code: 4i6h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4i5mRCSB PDB    PDBbind308aa, >4I5M_1|Chain... *
4i5pRCSB PDB    PDBbind308aa, >4I5P_1|Chain... at 100%
4i6bRCSB PDB    PDBbind308aa, >4I6B_1|Chain... at 100%
4i6fRCSB PDB    PDBbind308aa, >4I6F_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 ID4i6h
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase PLK2 (C83S, V87T, A119S, A216S, C259A, C291S, L335T mutation)
Ligand Name1C8
EC.Number E.C.2.7.11.21
Resolution 1.91(Å)
Affinity (Kd/Ki/IC50)IC50=5nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Chemmedchem Vol. 8: pp. 1295-1313
Ligand Properties
Formula C20H23N7OS
Molecular Weight 409.508
Exact Mass 409.168
No. of atoms 52
No. of bonds 56
Polar Surface Area 108.28
LOGP Value 2.83      (Computed with XLOGP3)
3.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
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): Q9NYY3  
Entrez Gene IDNCBI Entrez Gene ID: 10769  
ASDInformation of known allosteric effects of PDB entries

 
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