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Related entries of code: 3ptg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ukhRCSB PDB    PDBbind11aa, >1UKH_2|Chain... *
2g01RCSB PDB    PDBbind11aa, >2G01_2|Chains... at 100%
2gmxRCSB PDB    PDBbind11aa, >2GMX_2|Chains... at 100%
2h96RCSB PDB    PDBbind11aa, >2H96_2|Chains... at 100%
2no3RCSB PDB    PDBbind11aa, >2NO3_2|Chains... at 100%
3v3vRCSB PDB    PDBbind11aa, >3V3V_2|Chain... at 100%
4hysRCSB PDB    PDBbind11aa, >4HYS_2|Chain... at 100%
4hyuRCSB PDB    PDBbind11aa, >4HYU_2|Chain... at 100%
4izyRCSB PDB    PDBbind11aa, >4IZY_2|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 ID3ptg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMitogen-activated protein kinase 10, JNK3
Ligand Name932
EC.Number E.C.
Resolution 2.43(Å)
Affinity (Kd/Ki/IC50)IC50=25nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Bioorg.Med.Chem.Lett. Vol. 21: pp. 1838-1843
Ligand Properties
Formula C18H17N5O2S
Molecular Weight 367.425
Exact Mass 367.110
No. of atoms 43
No. of bonds 46
Polar Surface Area 119.22
LOGP Value 1.75      (Computed with XLOGP3)
2.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
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): P53779  Q9UQF2  
Entrez Gene IDNCBI Entrez Gene ID: 5602  9479  
ASDInformation of known allosteric effects of PDB entries

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