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: 5m6u
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3hhmRCSB PDB    PDBbind373aa, >3HHM_2|Chain... at 98%
6ocuRCSB PDB    PDBbind188aa, >6OCU_2|Chain... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5m6u
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligand Name7KA
EC.Number E.C.2.7.1.153
Resolution 2.85(Å)
Affinity (Kd/Ki/IC50)IC50=4.3nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ACS Med Chem Lett Vol. 8: pp. 118-123
Ligand Properties
Formula C19H16N8O
Molecular Weight 372.383
Exact Mass 372.145
No. of atoms 44
No. of bonds 47
Polar Surface Area 126.92
LOGP Value 2.59      (Computed with XLOGP3)
2.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 9
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): P27986  O00329  
Entrez Gene IDNCBI Entrez Gene ID: 5295  5293  
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