Structure of PDB 7bi9 Chain A Binding Site BS01

Receptor Information
>7bi9 Chain A (length=821) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNDEVAAFCQSIMKLKTKFPYTDHCTNPGYLLSPVTVQRNMASVKVSIEI
EGLQLPVTFTCDVSSTVEIIIMQALCWVHDDLNQVDVGSYILKVCGQEEV
LQNNHCLGSHEHIQNCRKWDTEIKLQLLTLSAMCQNLARTAEDDEAPVDL
RNIKEAWTATEQLQFTVYAAHGISSNWVSNYEKYYLICSLSHNGKDLFKP
IQSKKVGTYKNAAYLIKWDELIIFPIQISQLPLESVLHLTLFGVLNQGPE
ALGKVSLTLFDFKRFLTCGTKLAYLWTSERIVLQVDFPSPAFDIIYTSPQ
IDRNIIKLETLESDIKGKLLDIIHRDSSFGLSKEDKVFLWENRYYCLKHP
NCLPKILASAPNWKWANLAKTYSLLHQWPPLCPLAALELLDAKFADQEVR
SLAVSWMEAISDDELADLLPQFVQALKYEIYLNSSLVRFLLSRALGNIQI
AHSLYWLLKDALHDTHFGSRYEHVLGALLSVGGKGLREELSKQMKLVQLL
GGVAEKVRQASGSTRQVVLQKSMERVQSFFLRNKCRLPLKPSLVAKELNI
KSCSFFSSNAMPLKVTMVNADPLGEEINVMFKVGEDLRQDMLALQMIKIM
DKIWLKEGLDLRMVIFRCLSTGRDRGMVELVPASDTLRKIQVEYGVTGSF
KDKPLAEWLRKYNPSEEEYEKASENFIYSCAGCCVATYVLGICDRHNDNI
MLRSTGHMFHIDFGKFLGHAAPFVLTSDMAYVINGGEKPTIRFQLFVDLC
CQAYNLIRKQTNLFLNLLSLMIPSGLPELTSIQDLKYVRDALQPQTTDAE
ATIFFTRLIESSLGSIATKFN
Ligand information
Ligand ID090
InChIInChI=1S/C18H15N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-10H,1-2H3,(H,20,21,22,24)/p+1
InChIKeyGLZPAFCYKOIQQZ-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341COc1ccc2c3[nH]cc[n+]3c(NC(=O)c4cccnc4)nc2c1OC
OpenEye OEToolkits 1.5.0COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4
ACDLabs 10.04O=C(c1cccnc1)Nc3nc2c(OC)c(OC)ccc2c4[n+]3ccn4
FormulaC18 H16 N5 O3
NameN-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE;
N-(7,8-DIMETHOXY-1,8-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)NICOTINAMIDE;
PIK-90
ChEMBL
DrugBank
ZINCZINC000016052697
PDB chain7bi9 Chain A Residue 1101 [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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PDB7bi9 Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		K756 D764 F790 E803 V805 S808 M875 I885 D886
Binding residue
(residue number reindexed from 1)		K582 D590 F616 E629 V631 S634 M701 I711 D712
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.137: phosphatidylinositol 3-kinase.
2.7.1.153: phosphatidylinositol-4,5-bisphosphate 3-kinase.
2.7.1.154: phosphatidylinositol-4-phosphate 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:7bi9, PDBe:7bi9, PDBj:7bi9
PDBsum7bi9
PubMed35256802
UniProtQ61194|P3C2A_MOUSE Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha (Gene Name=Pik3c2a)

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