Structure of PDB 8sod Chain A Binding Site BS01

Receptor Information
>8sod Chain A (length=941) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LIPIEFVLPTSTPETALLHVAGHGNVEQMKAQVWLRALETSVSADFYHRL
GPDHFLLLYQKKGQWYEIYDKYQVVQTLDCLRYWKVLHRSPGQIHVVQRH
APSEETLAFQRQLNALIGYDVTDVSNVHDDELEFTRRRLVTPRMAEVAGR
DPKLYAMHPWVTSKPLPEYLLKKITNNCVFIVIHRSTTSQTIKVSADDTP
GTILQSFFTKMAKKKSLMDIPESQNERDFVLRVCGRDEYLVGETPIKNFQ
WVRQCLKNGEEIHLVLDTPPDPALDEVRKEEWPLVGYHEQLTIHGKDHES
VFTVSLWDCDRKFRVKIRGIDIPVLPLTVFVEANIQYGQQVLCQRRTSPK
PFTEEVLWNVWLEFSIKIKDLPKGALLNLQIYCGAQLLYYVNLLLIDHRF
LLRHGEYVLHMWQLNADKLTSATNPDKENSMSISILLDNYCHPIALPKHR
PTPDPEGDRVRAEMPNQLRKQLEAIIATDPLNPLTAEDKELLWHFRYESL
KDPKAYPKLFSSVKWGQQEIVAKTYQLLAKREVWDQSALDVGLTMQLLDC
NFSDENVRAIAVQKLESLEDDDVLHYLLQLVQAVKFEPYHDSALARFLLK
RGLRNKRIGHFLFWFLRSEIAQSRHYQQRFAVILEAYLRGCGTAMLHDFT
QQVQVIDMLQKVTIDIKSLSSQVISQLKQKLENLQNLNLPQSFRVPYDPG
LKAGALVIEKCKVMASKKKPLWLEFKCADPTALSNETIGIIFKHGDDLRQ
DMLILQILRIMESIWETESLDLCLLPYGCISTGDKIGMIEIVKDATTIAK
IQQEVLSHWLKEKCPIEEKFQAAVERFVYSCAGYCVATFVLGIGDRHNDN
IMISNLFHIDFGVPFVLTPDFLFVMTSLHFQKFQDVCVKAYLALRHHTNL
LIILFSMMLMTGMPEDIEYIRDALTEEDAKKYFLDQIEVCR
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain8sod Chain A Residue 1201 [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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PDB8sod Structural and mechanistic basis for Gbetagamma mediated activation of phosphoinositide 3 kinase gamma
Resolution3.4 Å
Binding residue
(original residue number in PDB)		M804 S806 I831 K833 Y867 I879 E880 I881 V882 T887 K890 M953 I963 D964
Binding residue
(residue number reindexed from 1)		M714 S716 I741 K743 Y777 I789 E790 I791 V792 T797 K800 M852 I859 D860
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
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:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016303 1-phosphatidylinositol-3-kinase activity
GO:0035005 1-phosphatidylinositol-4-phosphate 3-kinase activity
GO:0044024 histone H2AS1 kinase activity
GO:0046934 1-phosphatidylinositol-4,5-bisphosphate 3-kinase activity
GO:0106310 protein serine kinase activity
Biological Process
GO:0001525 angiogenesis
GO:0002376 immune system process
GO:0006338 chromatin remodeling
GO:0006629 lipid metabolic process
GO:0006897 endocytosis
GO:0006935 chemotaxis
GO:0006954 inflammatory response
GO:0007200 phospholipase C-activating G protein-coupled receptor signaling pathway
GO:0016310 phosphorylation
GO:0036092 phosphatidylinositol-3-phosphate biosynthetic process
GO:0043491 phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0046854 phosphatidylinositol phosphate biosynthetic process
GO:0048015 phosphatidylinositol-mediated signaling
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0005943 phosphatidylinositol 3-kinase complex, class IA
GO:0005944 phosphatidylinositol 3-kinase complex, class IB

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8sod, PDBe:8sod, PDBj:8sod
PDBsum8sod
PubMed38565696
UniProtO02697|PK3CG_PIG Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Gene Name=PIK3CG)

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