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: 4mp2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2bu5RCSB PDB    PDBbind394aa, >2BU5_1|Chain... at 100%
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... *
5j6aRCSB PDB    PDBbind400aa, >5J6A_1|Chain... at 99%
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 ID4mp2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepyruvate dehydrogenase kinase isoform 2
Ligand NamePV1
EC.Number E.C.2.7.11.2
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Kd=3570nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Biol.Chem. Vol. 289: pp. 4432-4443
Ligand Properties
Formula C15H12BrNO3
Molecular Weight 334.165
Exact Mass 333.000
No. of atoms 32
No. of bonds 34
Polar Surface Area 60.77
LOGP Value 2.98      (Computed with XLOGP3)
2.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
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): 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 ©2007-2025    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