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: 2xvn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2xtkRCSB PDB    PDBbind310aa, >2XTK:B|PDBID|CHAIN|... at 100%
2xucRCSB PDB    PDBbind310aa, >2XUC:C|PDBID|CHAIN|... at 100%
4tx6RCSB PDB    PDBbind310aa, >4TX6:B|PDBID|CHAIN|... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2xvn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Ligand NameKLS
EC.Number E.C.-.-.-.-
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)IC50=112uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference(2010) Chem.Biol. Vol. 17: pp. 1275
Ligand Properties
Formula C9H13N4O
Molecular Weight 193.226
Exact Mass 193.109
No. of atoms 27
No. of bonds 27
Polar Surface Area 81.12
LOGP Value 1.41      (Computed with XLOGP3)
-0.00      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
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): Q873Y0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

This site has been visited times since Nov 2007.

Address: LingLing Road 345, Shanghai, 200032, China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@mail.sioc.ac.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2019    Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences