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: 5kkr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5kkr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecomplex of Kinase suppressor of Ras 2 (KSR2) and MEK1
Ligand Name6U7
EC.Number E.C.2.7.11.1; 2.7.12.2
Resolution 3.51(Å)
Affinity (Kd/Ki/IC50)IC50=120nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nature Vol. 537: pp. 112-116
Ligand Properties
Formula C23H21N3O3
Molecular Weight 387.431
Exact Mass 387.158
No. of atoms 50
No. of bonds 53
Polar Surface Area 65.5
LOGP Value 5.25      (Computed with XLOGP3)
5.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
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): P29678  Q6VAB6  
Entrez Gene IDNCBI Entrez Gene ID: 100009316  283455  
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