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: 6qav
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6qauRCSB PDB    PDBbind280aa, >6QAU_1|Chains... at 100%
6qatRCSB PDB    PDBbind280aa, >6QAT_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6qav
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameSerine/threonine-protein kinase ULK2
Ligand NameHVH
EC.Number E.C.2.7.11.1
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)Kd=4.9nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Biochem.J. Vol. 476: pp. 875-887
Ligand Properties
Formula C25H33N6O
Molecular Weight 433.569
Exact Mass 433.272
No. of atoms 65
No. of bonds 69
Polar Surface Area 83.38
LOGP Value 4.10      (Computed with XLOGP3)
4.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
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): Q8IYT8  
Entrez Gene IDNCBI Entrez Gene ID: 9706  
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