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: 5kql
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5kqgRCSB PDB    PDBbind178aa, >5KQG_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5kql
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLow molecular weight phosphotyrosine protein phosphatase (LMW-PTP)
Ligand Name6VY
EC.Number E.C.3.1.3.48
Resolution 1.45(Å)
Affinity (Kd/Ki/IC50)IC50>100uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. 59 : pp. 9094-9106
Ligand Properties
Formula C14H15NO4S
Molecular Weight 293.338
Exact Mass 293.072
No. of atoms 35
No. of bonds 36
Polar Surface Area 115.09
LOGP Value 2.34      (Computed with XLOGP3)
3.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
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): P24666  
Entrez Gene IDNCBI Entrez Gene ID: 52  
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