Browse entries in the PDBbind-CN Database

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Related entries of code: 5f9e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1xjdRCSB PDB    PDBbind345aa, >1XJD_1|Chain... at 99%
4q9zRCSB PDB    PDBbind334aa, >4Q9Z_1|Chains... at 100%
4ra5RCSB PDB    PDBbind334aa, >4RA5_1|Chains... 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 ID5f9e
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProtein Kinase C theta
Ligand Name5VS
EC.Number E.C.2.7.11.13
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=0.46nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Bioorg.Med.Chem. Vol. 24: pp. 2466-2475
Ligand Properties
Formula C23H21N5O2
Molecular Weight 399.445
Exact Mass 399.170
No. of atoms 51
No. of bonds 55
Polar Surface Area 83.02
LOGP Value 2.95      (Computed with XLOGP3)
3.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
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): Q04759  
Entrez Gene IDNCBI Entrez Gene ID: 5588  
ASDInformation of known allosteric effects of PDB entries

 
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