Structure of PDB 8sor Chain A Binding Site BS01

Receptor Information
>8sor Chain A (length=1156) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVESYFSDIHDFEYDKSLGSTRFFKVARAKHREGLVVVKVFAIQDPTLPL
TSYKQELEELKIRLNSAQNCLPFQKASEKASEKAAMLFRQYVRDNLYDRI
STRPFLNNIEKRWIAFQILTAVDQAHKSGVRHGDIKTENVMVTSWNWVLL
TDFASFKPTYLPEDNPADFNYFFDTSRRRTCYIAPERFVDGELKRAMDIF
SAGCVIAELFTEGVPLFDLSQLLAYRNGHFFPEQVLNKIEDHSIRELVTQ
MIHREPDKRLEAEDYLKQQRGNAFPEIFYTFLQPYMAQFAKETFLSADER
ILVIRKDLGNIIHNLCENGLVILVSVITSCLQTLKYCDSKLAALELILHL
APRLSVEILLDRITPYLLHFSNDSVPRVRAEALRTLTKVLALVKEVPRND
INIYPEYILPGIAHLAQDDATIVRLAYAENIALLAETALRFLELVQLKNY
DTELQALHEMVQQKVVTLLSDPENIVKQTLMENGITRLCVFFGRQKANDV
LLSHMITFLNDKNDWHLRGAFFDSIVGVAAYVGWQSSSILKPLLQQGLSD
AEEFVIVKALYALTCMCQLGLLQKPHVYEFASDIAPFLCHPNLWIRYGAV
GFITVVARQISTADVYCKLMPYLDPYITQPIIQIERKLVLLSVLKEPVSR
SIFDYALRSKDITSLFRHLHMRQKKRNGSLPDCPPPEDPAIAQLLKKLLS
QGMTEEEEDKLLALKDFMMKSNKAKANIVDQVIDLAALGITGRQVDLVKT
TTCKTELQQLIQQKREQCNAERIAKQMMENAEWESKPPPPGWRPKGLLVA
HLHEHKSAVNRIRVSDEHSLFATCSNDGTVKIWNSQKMEGKTTTTRSILT
YSRIGGRVKTLTFCQGSHYLAIASDNGAVQLLGIEASKLPKSPKIHPLQS
RILDQKEDGCVVDMHHFNSGAQSVLAYATVNGSLVGWDLRSSSNAWTLKH
DLKSGLITSFAVDIHQCWLCIGTSSGTMACWDMRFQLPISSHCHPSRARI
RRLSMHPLYQSWVIAAVQGNNEVSMWDMETGDRRFTLWASSAPPLSELQP
SPHSVHGIYCSPADGNPILLTAGSDMKIRFWDLAYPERSYVVAGSTSSPS
VSYYRKIIEGTEVVQEIQNESLPVGHHDIITDVATFQTTQGFIVTASRDG
IVKVWK
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 chain8sor Chain A Residue 1401 [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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PDB8sor Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex
Resolution3.96 Å
Binding residue
(original residue number in PDB)		L32 V106 N109 K150 N153 K171 T189
Binding residue
(residue number reindexed from 1)		L18 V92 N95 K136 N139 K157 T175
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0044024 histone H2AS1 kinase activity
GO:0106310 protein serine kinase activity
Biological Process
GO:0006338 chromatin remodeling
GO:0006468 protein phosphorylation
GO:0006622 protein targeting to lysosome
GO:0006623 protein targeting to vacuole
GO:0010506 regulation of autophagy
GO:0016236 macroautophagy
GO:0016241 regulation of macroautophagy
GO:0016310 phosphorylation
GO:0032465 regulation of cytokinesis
GO:0032801 receptor catabolic process
GO:0036092 phosphatidylinositol-3-phosphate biosynthetic process
GO:0042149 cellular response to glucose starvation
GO:0043491 phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0045022 early endosome to late endosome transport
GO:0045324 late endosome to vacuole transport
GO:0097352 autophagosome maturation
Cellular Component
GO:0005768 endosome
GO:0005770 late endosome
GO:0005776 autophagosome
GO:0005829 cytosol
GO:0005930 axoneme
GO:0015630 microtubule cytoskeleton
GO:0016020 membrane
GO:0030670 phagocytic vesicle membrane
GO:0034271 phosphatidylinositol 3-kinase complex, class III, type I
GO:0034272 phosphatidylinositol 3-kinase complex, class III, type II
GO:0035032 phosphatidylinositol 3-kinase complex, class III
GO:0043231 intracellular membrane-bounded organelle
GO:0071561 nucleus-vacuole junction

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8sor, PDBe:8sor, PDBj:8sor
PDBsum8sor
PubMed
UniProtQ99570|PI3R4_HUMAN Phosphoinositide 3-kinase regulatory subunit 4 (Gene Name=PIK3R4)

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