Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 4an3
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%
4an9RCSB PDB    PDBbind301aa, >4AN9_1|Chain... at 96%
4anbRCSB PDB    PDBbind301aa, >4ANB_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 ID4an3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, human MEK1
Ligand Name5Y0
EC.Number E.C.2.7.12.2
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=0.6nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Acs Med.Chem.Lett. Vol. 3: pp. 416-421
Ligand Properties
Formula C16H14F3IN2O4
Molecular Weight 482.193
Exact Mass 481.995
No. of atoms 40
No. of bonds 41
Polar Surface Area 90.82
LOGP Value 2.99      (Computed with XLOGP3)
2.93      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
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

 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝e湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com