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Related entries of code: 3v04
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3e8nRCSB PDB    PDBbind341aa, >3E8N_1|Chain... at 97%
3eqbRCSB PDB    PDBbind333aa, >3EQB_1|Chain... at 99%
3mblRCSB PDB    PDBbind328aa, >3MBL_1|Chain... at 97%
3pp1RCSB PDB    PDBbind328aa, >3PP1_1|Chain... at 97%
3v01RCSB PDB    PDBbind341aa, >3V01_1|Chain... at 97%
3zlsRCSB PDB    PDBbind348aa, >3ZLS_1|Chain... at 98%
3zlwRCSB PDB    PDBbind348aa, >3ZLW_1|Chain... at 98%
3zlxRCSB PDB    PDBbind348aa, >3ZLX_1|Chain... at 98%
3zlyRCSB PDB    PDBbind348aa, >3ZLY_1|Chain... at 98%
3zm4RCSB PDB    PDBbind348aa, >3ZM4_1|Chain... at 98%
4arkRCSB PDB    PDBbind341aa, >4ARK_1|Chain... at 97%
4lmnRCSB PDB    PDBbind341aa, >4LMN_1|Chain... at 97%
5eymRCSB PDB    PDBbind359aa, >5EYM_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3v04
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, human MEK1
Ligand NameV04
EC.Number E.C.2.7.12.2
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=13nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 4594-4604
Ligand Properties
Formula C16H14FIN4O3
Molecular Weight 456.210
Exact Mass 456.009
No. of atoms 39
No. of bonds 41
Polar Surface Area 99.27
LOGP Value 3.04      (Computed with XLOGP3)
3.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
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): Q02750  
Entrez Gene IDNCBI Entrez Gene ID: 5604  
ASDInformation of known allosteric effects of PDB entries
 
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