Browse entries in the PDBbind-CN Database

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Related entries of code: 4q9z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1xjdRCSB PDB    PDBbind345aa, >1XJD_1|Chain... at 99%
4ra5RCSB PDB    PDBbind334aa, >4RA5_1|Chains... at 100%
5f9eRCSB PDB    PDBbind353aa, >5F9E_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4q9z
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHUMAN PROTEIN KINASE C THETA PKC-Theta
Ligand NamePZW
EC.Number E.C.2.7.11.13
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=55nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 222-236
Ligand Properties
Formula C15H20N5O2
Molecular Weight 302.352
Exact Mass 302.162
No. of atoms 42
No. of bonds 45
Polar Surface Area 82.57
LOGP Value 0.61      (Computed with XLOGP3)
0.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
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): Q04759  
Entrez Gene IDNCBI Entrez Gene ID: 5588  
ASDInformation of known allosteric effects of PDB entries

 
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