Structure of PDB 7bi2 Chain A Binding Site BS01

Receptor Information
>7bi2 Chain A (length=1021) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNDEVAAFCQSIMKLKTKFPYTDHCTNPGYLLSPVTVQRNASVKVSIEIE
GLQLPVTFTCDVSSTVEIIIMQALCWVDVGSYILKVCGQEEVLQNNHCLG
SHEHIQNCRKWDTEIKLQLLTLSAMCQNLARTAEDDEAPVDLRHPVEELL
DSYHYQVELALQTENQHRAVDQVIKAVRKICSALDGVETPSVTEAVKKLK
RAVNLPPENPVQVSMDHLTTAIYDLLRLHANSSNIKEAWTATEQLQFTVY
AAHGISSNWVSYEKYYLICSLSHNGKDLFKPIQSKKVGTYKNFFYLIKWD
ELIIFPIQISQLPLESVLHLTLFALGKVSLTLFDFKRFLTCGTKLLYLWT
SIVLQVDFPSPAFDIIYTSPQIDRNIITLESDIKGKLLDIIHRDSSFGLS
KEDKVFLWENRYYCLKHPNCLPKILASAPNWKWANLAKTYSLLHQWPPLC
PLAALELLDAKFADQEVRSLAVSWMEAISDDELADLLPQFVQALKYEIYL
NSSLVRFLLSRALGNIQIAHSLYWLLKDALHDTHFGSRYEHVLGALLSVG
GKGLREELSKQMKLVQLLGGVAEKVRQASGSTRQVVLQKSMERVQSFFLR
NKCRLPLKPSLVAKELNIKSCSFFSSNAMPLKVTMVNADPLGEEINVMFK
VGEDLRQDMLALQMIKIMDKIWLKEGLDLRMVIFRCLSTGRDRGMVELVP
ASDTLRKIQVELAEWLRKYNPSEEEYEKASENFIYSCAGCCVATYVLGIC
DRHNDNIMLRSTGHMFHIDFGKFLGHAQMFGSFRAPFVLTSDMAYVINGG
EKPTIRFQLFVDLCCQAYNLIRKQTNLFLNLLSLMIPSGLPELTSIQDLK
YVRDALQPQTTDAEATIFFTRLIESSLATKFNFFIHNLAQLRFSLSFSPK
TYSFRQDGRIKEVSVFTYHKKYNPDKHYIYVVRILREGHLEPSFVFRTFD
EFQELHNKLSIIFPLWKLPGFPNGRTHIKDVAAKRKIELNSYLQSLMNAS
TDVAECDLVCTFFHPLLRDEK
Ligand information
Ligand ID17G
InChIInChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
InChIKeyGUXXEUUYCAYESJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01FC(F)(F)c1cc(ccc1)N5C(=O)C=Cc4cnc3ccc(c2ccc(nc2)N)cc3c45
CACTVS 3.370Nc1ccc(cn1)c2ccc3ncc4C=CC(=O)N(c5cccc(c5)C(F)(F)F)c4c3c2
OpenEye OEToolkits 1.7.6c1cc(cc(c1)N2c3c4cc(ccc4ncc3C=CC2=O)c5ccc(nc5)N)C(F)(F)F
FormulaC24 H15 F3 N4 O
Name9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one
ChEMBLCHEMBL1765602
DrugBank
ZINCZINC000071318831
PDB chain7bi2 Chain A Residue 1202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bi2 Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Resolution3.25 Å
Binding residue
(original residue number in PDB)		F730 S732 P736 K756 L804 V805 S808 M875 I885
Binding residue
(residue number reindexed from 1)		F624 S626 P630 K650 L698 V699 S702 M758 I768
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
GO:0035091 phosphatidylinositol binding
Biological Process
GO:0046854 phosphatidylinositol phosphate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7bi2, PDBe:7bi2, PDBj:7bi2
PDBsum7bi2
PubMed35256802
UniProtQ61194|P3C2A_MOUSE Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha (Gene Name=Pik3c2a)

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