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: 5kjk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3s7bRCSB PDB    PDBbind433aa, >3S7B_1|Chain... at 99%
4wuyRCSB PDB    PDBbind441aa, >4WUY_1|Chain... at 98%
4yndRCSB PDB    PDBbind461aa, >4YND_1|Chain... *
5arfRCSB PDB    PDBbind433aa, >5ARF_1|Chain... at 99%
5argRCSB PDB    PDBbind433aa, >5ARG_1|Chain... at 99%
5kjmRCSB PDB    PDBbind429aa, >5KJM_1|Chain... at 99%
5kjnRCSB PDB    PDBbind429aa, >5KJN_1|Chain... at 99%
5v3hRCSB PDB    PDBbind444aa, >5V3H_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5kjk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameN-lysine methyltransferase SMYD2
Ligand Name6T1
EC.Number E.C.-.-.-.-
Resolution 1.93(Å)
Affinity (Kd/Ki/IC50)IC50=0.012uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J. Med. Chem. Vol. 59: pp. 11079-11097
Ligand Properties
Formula C30H36Cl2N4O2
Molecular Weight 555.538
Exact Mass 554.222
No. of atoms 74
No. of bonds 78
Polar Surface Area 60.1
LOGP Value 5.73      (Computed with XLOGP3)
6.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
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): Q9NRG4  
Entrez Gene IDNCBI Entrez Gene ID: 56950  
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