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Related entries of code: 3v3v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ukhRCSB PDB    PDBbind11aa, >1UKH:B|PDBID|CHAIN|... *
2g01RCSB PDB    PDBbind11aa, >2G01:G|PDBID|CHAIN|... at 100%
2gmxRCSB PDB    PDBbind11aa, >2GMX:G|PDBID|CHAIN|... at 100%
2h96RCSB PDB    PDBbind11aa, >2H96:G|PDBID|CHAIN|... at 100%
2no3RCSB PDB    PDBbind11aa, >2NO3:G|PDBID|CHAIN|... at 100%
3ptgRCSB PDB    PDBbind11aa, >3PTG:J|PDBID|CHAIN|... at 100%
4hysRCSB PDB    PDBbind11aa, >4HYS:B|PDBID|CHAIN|... at 100%
4hyuRCSB PDB    PDBbind11aa, >4HYU:B|PDBID|CHAIN|... at 100%
4izyRCSB PDB    PDBbind11aa, >4IZY:B|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2o64RCSB PDB    PDBbindMYU

Entry Information
PDB ID3v3v
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMitogen-activated protein kinase 8, JNK1
Ligand NameMYU
EC.Number E.C.2.7.11.24
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=4.6uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference(2013) J.Mol.Biol. Vol. 425: pp. 411-423
Ligand Properties
Formula C15H10O8
Molecular Weight 318.235
Exact Mass 318.038
No. of atoms 33
No. of bonds 35
Polar Surface Area 151.59
LOGP Value 1.81      (Computed with XLOGP3)
1.69      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
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): Q9WVI9  P45983  
Entrez Gene IDNCBI Entrez Gene ID: 19099  5599  
ASDInformation of known allosteric effects of PDB entries

 
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