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Related entries of code: 2x6i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2x6fRCSB PDB    PDBbind696aa, >2X6F_1|Chains... *
2x6jRCSB PDB    PDBbind696aa, >2X6J_1|Chains... at 100%
2x6kRCSB PDB    PDBbind696aa, >2X6K_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2chxRCSB PDB    PDBbind090

Entry Information
PDB ID2x6i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDROSOPHILA CLASS III PI3-KINASE VPS34
Ligand Name090
EC.Number E.C.2.7.1.137
Resolution 3.4(Å)
Affinity (Kd/Ki/IC50)IC50=830nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Science Vol. 327: pp. 1638-1642
Ligand Properties
Formula C18H21N5O3
Molecular Weight 355.391
Exact Mass 355.164
No. of atoms 47
No. of bonds 50
Polar Surface Area 94.27
LOGP Value 0.38      (Computed with XLOGP3)
0.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
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): Q9W1M7  
Entrez Gene IDNCBI Entrez Gene ID: 37733  
ASDInformation of known allosteric effects of PDB entries

 
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