Structure of PDB 2x6f Chain B Binding Site BS01

Receptor Information
>2x6f Chain B (length=542) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASIRDQLHTIVYRYPPTYVLSSEEQDLVWKFRFYLSSHKKALTKFLKCIN
WKLEDEVTQALWMLANWAPMDVEDALELLSPTFTHPQVRKYAVSRLAQAP
DEDLLLYLLQLVQALKYEDPRHIVHLHGCIFNLCTFLIQRACTNATLANY
FYWYLSIEVEQDERAHDMYAMVLKMFLKVLENGNFNLRGIFYNLRKQRRF
IDELVKLVKLVAKEPGNRNKKTEKFQKLLAEQDMFKVNFTNFEPIPFPLD
PEIYITKIVPMRTSLFKSALMPAKLTFVTSIAHHEYAAIFKHGDDLRQDQ
LILQMITLMDKLLRRENLDLKLTPYKVLATSSKHGFLQYVDSCTVAEVLA
REGNIHNFFRKHHPCDNGPYGISAEVMDTYIKSCAGYCVITYLLGVGDRH
LDNLLLTTNGKLFHIDFGYILGRDPKPMPPPMKLSKEMVEAMGGISSEHH
HEFRKQCYTAYLHLRRHANVMLNLFSLMVDATVPDIALEPDKAVKKVEEN
LQLGLTDEEAVQHLQSLLDVSITAVMPALVEQIHRFTQYWRK
Ligand information
Ligand ID3MA
InChIInChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,1H3,(H2,7,8,9)/p+1
InChIKeyYLIQVEPMZVVUEK-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04n2c[n+](c1c(ncn1)c2N)C
CACTVS 3.341C[n+]1cnc(N)c2nc[nH]c12
OpenEye OEToolkits 1.5.0C[n+]1cnc(c2c1[nH]cn2)N
FormulaC6 H8 N5
Name6-AMINO-3-METHYLPURINE
ChEMBL
DrugBank
ZINC
PDB chain2x6f Chain B Residue 1950 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2x6f Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		I696 Y732 V747 I822
Binding residue
(residue number reindexed from 1)		I289 Y325 V340 I415
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.137: phosphatidylinositol 3-kinase.
Gene Ontology
Molecular Function
GO:0016301 kinase activity
GO:0016303 1-phosphatidylinositol-3-kinase activity
Biological Process
GO:0046854 phosphatidylinositol phosphate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2x6f, PDBe:2x6f, PDBj:2x6f
PDBsum2x6f
PubMed20339072
UniProtQ9W1M7

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