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Related entries of code: 6qg4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3wzuRCSB PDB    PDBbind324aa, >3WZU_1|Chain... *
6qhrRCSB PDB    PDBbind318aa, >6QHR_1|Chain... at 96%
6qhoRCSB PDB    PDBbind318aa, >6QHO_1|Chain... at 96%
6qg7RCSB PDB    PDBbind318aa, >6QG7_1|Chain... at 96%
6qftRCSB PDB    PDBbind318aa, >6QFT_1|Chain... at 96%
6ib2RCSB PDB    PDBbind318aa, >6IB2_1|Chain... at 95%
6ib0RCSB PDB    PDBbind318aa, >6IB0_1|Chain... at 96%
5z1eRCSB PDB    PDBbind324aa, >5Z1E_1|Chain... at 99%
5z1dRCSB PDB    PDBbind324aa, >5Z1D_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6qg4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemitogen activated kinase kinase 7, MKK7
Ligand NameJ0E
EC.Number E.C.2.7.12.2
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=8.6nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 5541-5546
Ligand Properties
Formula C19H22N6O2
Molecular Weight 366.417
Exact Mass 366.180
No. of atoms 49
No. of bonds 52
Polar Surface Area 110.16
LOGP Value 1.57      (Computed with XLOGP3)
2.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
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): O14733  
Entrez Gene IDNCBI Entrez Gene ID: 5609  
ASDInformation of known allosteric effects of PDB entries
 
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