Structure of PDB 2x6k Chain B Binding Site BS01

Receptor Information
>2x6k Chain B (length=550) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASIRDQLHTIVYRYPPTYVLSSEEQDLVWKFRFYLSSHKKALTKFLKCIN
WKLEDEVTQALWMLANWAPMDVEDALELLSPTFTHPQVRKYAVSRLAQAP
DEDLLLYLLQLVQALKYEDPRHIVHLHGCIFPEANLCTFLIQRACTNATL
ANYFYWYLSIEVEEVERKQDERAHDMYAMVLKMFLKVLENGNFNLRGIFY
NLRKQRRFIDELVKLVKLVAKEPGNRNKKTEKFQKLLAEQDMFKVNFTNF
EPIPFPLDPEIYITKIVPMRTSLFKSALMPAKLTFVTSIAHHEYAAIFKH
GDDLRQDQLILQMITLMDKLLRRENLDLKLTPYKVLATSSKHGFLQYVDS
CTVAEVLAREGNIHNFFRKHHPCDNGPYGISAEVMDTYIKSCAGYCVITY
LLGVGDRHLDNLLLTTNGKLFHIDFGYILGRDPKPMPPPMKLSKEMVEAM
GGISSEHHHEFRKQCYTAYLHLRRHANVMLNLFSLMVDATVPDIALEPDK
AVKKVEENLQLGLTDEEAVQHLQSLLDVSITAVMPALVEQIHRFTQYWRK
Ligand information
Ligand IDX6K
InChIInChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
InChIKeyTUVCWJQQGGETHL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cccc(O)c5
OpenEye OEToolkits 1.6.1c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5
CACTVS 3.352Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2
FormulaC19 H16 N4 O3
Name3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL;
PI-103
ChEMBLCHEMBL573339
DrugBankDB17046
ZINCZINC000003963016
PDB chain2x6k 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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PDB2x6k Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		K674 K698 D706 Y732 L744 Q745 Y746 V747 I822
Binding residue
(residue number reindexed from 1)		K275 K299 D307 Y333 L345 Q346 Y347 V348 I423
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:2x6k, PDBe:2x6k, PDBj:2x6k
PDBsum2x6k
PubMed20339072
UniProtQ9W1M7

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