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Related entries of code: 6qat
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6qavRCSB PDB    PDBbind280aa, >6QAV_1|Chains... at 100%
6qauRCSB PDB    PDBbind280aa, >6QAU_1|Chains... 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 ID6qat
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase ULK2
Ligand NameFE7
EC.Number E.C.2.7.11.1
Resolution 2.77(Å)
Affinity (Kd/Ki/IC50)Kd=47.3nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Biochem.J. Vol. 476: pp. 875-887
Ligand Properties
Formula C29H33N4O3S
Molecular Weight 517.662
Exact Mass 517.227
No. of atoms 70
No. of bonds 74
Polar Surface Area 100.12
LOGP Value 4.24      (Computed with XLOGP3)
6.88      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
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

 
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