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: 5j6a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2bu5RCSB PDB    PDBbind394aa, >2BU5_1|Chain... at 100%
4mp2RCSB PDB    PDBbind400aa, >4MP2_1|Chain... at 99%
4mp7RCSB PDB    PDBbind400aa, >4MP7_1|Chain... at 99%
4mpcRCSB PDB    PDBbind400aa, >4MPC_1|Chain... at 99%
4mpeRCSB PDB    PDBbind400aa, >4MPE_1|Chain... at 99%
4mpnRCSB PDB    PDBbind400aa, >4MPN_1|Chain... at 99%
4v25RCSB PDB    PDBbind408aa, >4V25_1|Chain... *
5j71RCSB PDB    PDBbind400aa, >5J71_1|Chain... at 99%
5m4kRCSB PDB    PDBbind408aa, >5M4K_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5j6a
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePyruvate Dehydrogenase Kinase 2
Ligand NameP46
EC.Number E.C.-.-.-.-
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)Kd=17nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 1142-1150
Ligand Properties
Formula C23H30N5O6S
Molecular Weight 504.579
Exact Mass 504.192
No. of atoms 65
No. of bonds 68
Polar Surface Area 189.29
LOGP Value -0.01      (Computed with XLOGP3)
1.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 11
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): Q15119  
Entrez Gene IDNCBI Entrez Gene ID: 5164  
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