Browse entries in the PDBbind-CN Database

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Related entries of code: 4anb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ornRCSB PDB    PDBbind307aa, >3ORN_1|Chain... *
3os3RCSB PDB    PDBbind307aa, >3OS3_1|Chain... at 100%
3wigRCSB PDB    PDBbind307aa, >3WIG_1|Chain... at 100%
4an2RCSB PDB    PDBbind301aa, >4AN2_1|Chain... at 96%
4an3RCSB PDB    PDBbind301aa, >4AN3_1|Chain... at 96%
4an9RCSB PDB    PDBbind301aa, >4AN9_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4anb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, human MEK1
Ligand NameYQY
EC.Number E.C.2.7.12.2
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=6.6nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Acs Med.Chem.Lett. Vol. 3: pp. 416-421
Ligand Properties
Formula C17H16F3IN3O2
Molecular Weight 478.228
Exact Mass 478.024
No. of atoms 42
No. of bonds 44
Polar Surface Area 80.21
LOGP Value 2.46      (Computed with XLOGP3)
1.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
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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