Structure of PDB 8duj Chain A Binding Site BS03

Receptor Information
>8duj Chain A (length=3823) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFLRTDDEVVLQCSAQLKLCLAAEGFGNRLCFLEPTSNAQNVPPDLAICC
FTLEQSLSVRALQEMLANTGHRTLLYGHAILLRHAHSRMYLSCLTTSRSM
TDKLAFDVGLQEDATGEACWWTMHPASKQRSEGEKVRVGDDLILVSVSSE
RYLHLQVDASFMQTLWNMNPICYVTGGHVLRLFHGECLTISAADSDDQRR
LVYYEGGAVCTHARSLWRLEPLRISWSGSHLRWGQPLRIRHVTTGRYLAL
TEDQGLVVVDACKAHTKATSFCFRVSKEGMGPPEIKYGESLCFVQHVASG
LWLTYAALKKKAILHQEGHMDDALFLTRCQQEESQAARMIHSTAGLYNQF
IKGLDSFSGKPRALPIEAVILSLQDLIGYFEPPSEELQHEEKQSKLRSLR
NRQSLFQEEGMLSLVLNCIDRLNVYTTAAHFAEYAGEEAAESWKEIVNLL
YELLASLIRGNRANCALFSTNLDWVVSKLDRLEASSGILEVLYCVLIESP
EVLNIIQENHIKSIISLLDKHGRNHKVLDVLCSLCVCNGVAVRSNQDLIT
ENLLPGRELLLQTNLINYVTSIRPNIFVGRAEGSTQYGKWYFEVMVDEVV
PFLTAQATHLRVGWALTEGYSPYPGGGEGWGGNGVGDDLYSYGFDGLHLW
TGHVARPVTSPGQHLLAPEDVVSCCLDLSVPSISFRINGCPVQGVFEAFN
LDGLFFPVVSFSAGVKVRFLLGGRHGEFKFLPPPGYAPCHEAVLPRERLR
LEPIKEYRREGPPHLVGPSRCLSHTDFVPIVLPPHLERIREKLAENIHEL
WALTRIHPCLVNFHSLPEPERNYNLQMSGETLKTLLALGCVDRLAENGHN
VWARDRVAQGWSYSAVQDIPARRNPRLVPYRLLDEATKRSNRDSLCQAVR
TLLGYGYNIEPDRVRIFRAEKSYTVQSGRWYFEFEAVTTGEMRVGWARPE
LRPDVELGADELAYVFNGHRGQRWHLGSEPFGRPWQSGDVVGCMIDLTEN
TIIFTLNGEVLMSDSGSETAFREIEIGDGFLPVCSLGPGQVGHLNLGQDV
SSLRFFAICGLQEGFEPFAINMQRPVTTWFSKSLPQFEPVPPEHPHYEVA
RMDGTVDTPPCLRLAHRTWGSQNSLVEMLFLRLSLPVQFHQHFRLNTTTY
YYSVRVFAGQEPSCVWVGWVTPDYHQHDMNFDLSKVRAVTVTMHSSLKCS
NCYMVWGGDFVHTDLVIGCLVDLATGLMTFTANGKESNTFFQVEPNTKLF
PAVFVLPTHQNVIQFELGKQKNIMPLSAAMFLSERKNPAPQCPPRLEVQM
LMPVSWSRMPNHFLQVETRRAGERLGWAVQCQDPLTMMALHIPEENRCMD
ILELSERLDLQRFHSHTLRLYRAVCALGNNRVAHALCSHVDQAQLLHALE
DAHLPGPLRAGYYDLLISIHLESACRSRRSMLSEYIVPLTPETRAITLFP
RHGLPGVGVTTSLRPPHHFSPPCFVAALPPARLSPAIPLEALRDKALRML
GEAVRDGGQHARDPVGGSVEFQFVPVLKLVSTLLVMGIFGDEDVKQILKM
IEPEVFTEEEGLLQMKLPESVKLQMCNLLEYFCDQELQHRVESLAAFAER
YVDKLQANQRSRYALLMRAFTMSAAETARRTREFRSPPQEQINMLLHFKD
DCPLPEDIRQDLQDFHQDLLAHCGIQPQSLQELVSHMVVRWAQEDYVQSP
ELVRAMFSLLHRQYDGLGELLRALPRAYTISPSSVEDTMSLLECLGQIRS
LLIVQMGPQEENLMIQSIGNIMNNKVFYQHPNLMRALGMHETVMEVMVNV
LGEIRFPKMVTSCCRFLCYFCRISRQNQRSMFDHLSYLLENSMQGSTPLD
VAAASVIDNNELALALQEQDLEKVVSYLAGCGLQSCPMLLAKGYPDIGWN
PCGGERYLDFLRFAVFVNGESVEENANVVVRLLIRKPECFGPALRGSGLL
AAIEEAIRISEDPRVHLGHAIMSFYAALIDLLGRCAPEMHLIQAGKGEAL
RIRAILRSLVPLDDLVGIISLPLQIPQPKMSASFVPDHKASMVLFLDRVY
GIENQDFLLHVLDVGFLPDMRAAASLDTEMALALNRYLCLAVLPLITKCA
PLFAGTEHRAIMVDSMLHTVYRLSRGRSLTKAQRDVIEDCLMALCRYIRP
SMLQHLLRRLVFDVPILNEFAKMPLKLLTNHYEREEELHLTRKLFWGIFD
SLAHKKYDQELYRMAMPCLCAEKLDSFINKFAEYTHEKWAFDKIQNNWSY
GENVDEELKTHPMLRPYKTFSEKDKEIYRWPIKESLKAMIAWEWTIEKAR
EGEEERTEKKKTRKISQTAQTYDPREGYNPQPPDLSGVTLSRELQAMAEQ
LAENYHNTWGRKKKQELEAKGGGTHPLLVPYDTLTAKEKARDREKAQELL
KFLQMNGYAVTRFAFGFLQQLLRWMDISQEFIEIKFFAKILLPLINQYFT
NHEKEMITSLFCKLAALAVVNCLHILAREIVKAGLRSFFESASEDIEKMV
EGQNLTYTTVALLPVLTTLFQHIAQDVQVSCYRTLCSIYSLGTPALGECL
ARLPMLCSYLPRWWSDHLNSLLGNILRIIVNNMKRLAVFAQPLHSHFIPT
IGRLRKRAGKVVAEEEQLRLEAKAEAEEGELLVRDEFSVLCRDLYALYPL
LIRYVDNNRAHWLTEPNANAEELFRMVGEIFIYWSKSHNFKREEQNFVVQ
VATLKKMLPIGLNQDLIMLAKTRYALKDTDEEVREEKIVRRVQEVSAVLY
HLEQTEHSKQRRRAVVACFRMTPLYNLPTHRACNMFLESYKAAWILTEDH
SFEDRMIDDLSKAGKKPDPLHQLVLHFSRTALTEKSKLDEDYLYMAYADI
MAKSCHLEVSFEEKEMEKQRLLYQQSRLHTRGAAEMVLQMISACKGETGA
MVSSTLKLGISILNGGNAEVQQKMLDYLKDKKEVGFFQSIQALMQTCSVL
DLNAFERQNKAEGLGMVNEDGTVINRQNGEKVMADDEFTQDLFRFLQLLC
EGHNNDFQNYLRTQTGNTTTINIIICTVDYLLRLQESISDFYWYYSGKDV
IEEQGKRNFSKAMSVAKQVFNSLTEYIQGPCTGNQQSLAHSRLWDAVVGF
LHVFAHMMMKLAQDSSQIELLKELLDLQKDMVVMLLSLLEGNVVNGMIAR
QMVDMLVESSSNVEMILKFFDMFLKLKDIVGSEAFQDYVTDPRGLISKKD
FQKAMDSQKQFTGPEIQFLLSCSEINFEEFANRFQEPARDIGFNVAVLLT
NLSEHVPHDPRLRNFLELAESILEYFRPYLGRIEIMGASRRIERIYFEIS
ETNRAQWEMPQVKESKRQFIFDVVNEGGEAEKMELFVSFCEDTIFEMQIA
AQISETAREAATALAALLWAVVARWGELEVQRVKFLNYLSRNFYTLRFLA
LFLAFAINFILLFYKVSDSPPNMVYYFLEESTGYMEPALWCLSLLHTLVA
FLCIIGYNCLKVPLVIFKREKELARKLEFDGLYITEQPGDDDVKGQWDRL
VLNTPSFPSNYWDKFVKRKVLDKHGDIFGRERIAELLGMDLASLEITAHN
ERTWLMSIDVKYQIWKFGVIFTDNSFLYLGWYMVMSLLGHYNNFFFAAHL
LDIAMGVKTLRTILSSVTHNGKQLVMTVGLLAVVVYLYTVVAFNFFRKFY
NKSEDEDEPDMKCDDMMTCYLFHMYVGVRAGGGIGDEIEDPAGDEYELYR
VVFDITFFFFVIVILLAIIQGLIIDAFGELRDQQEQVKEDMETKCFICGI
GSDYFDTTPHGFETHTLEEHNLANYMFFLMYLINKDETEHTGQESYVWKM
YQERCWDFFPAGDCFRKQYEDQL
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain8duj Chain A Residue 5103 [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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PDB8duj Cryo-EM analysis of scorpion toxin binding to Ryanodine Receptors reveals subconductance that is abolished by PKA phosphorylation.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		R4215 M4954 E4955 C4958 F4959 T4979 H4983 N4984 L4985
Binding residue
(residue number reindexed from 1)		R3317 M3741 E3742 C3745 F3746 T3766 H3770 N3771 L3772
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005219 ryanodine-sensitive calcium-release channel activity
GO:0005245 voltage-gated calcium channel activity
GO:0005262 calcium channel activity
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0005516 calmodulin binding
GO:0005524 ATP binding
GO:0015278 intracellularly gated calcium channel activity
GO:0015643 toxic substance binding
GO:0035381 ATP-gated ion channel activity
GO:0042802 identical protein binding
GO:0044325 transmembrane transporter binding
GO:0046872 metal ion binding
GO:0097718 disordered domain specific binding
Biological Process
GO:0003151 outflow tract morphogenesis
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
GO:0006874 intracellular calcium ion homeostasis
GO:0006936 muscle contraction
GO:0006941 striated muscle contraction
GO:0014808 release of sequestered calcium ion into cytosol by sarcoplasmic reticulum
GO:0019722 calcium-mediated signaling
GO:0043588 skin development
GO:0043931 ossification involved in bone maturation
GO:0048741 skeletal muscle fiber development
GO:0051209 release of sequestered calcium ion into cytosol
GO:0051289 protein homotetramerization
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
GO:0071277 cellular response to calcium ion
GO:0071313 cellular response to caffeine
Cellular Component
GO:0005790 smooth endoplasmic reticulum
GO:0014802 terminal cisterna
GO:0016020 membrane
GO:0016529 sarcoplasmic reticulum
GO:0030018 Z disc
GO:0031090 organelle membrane
GO:0033017 sarcoplasmic reticulum membrane
GO:0034704 calcium channel complex
GO:0042383 sarcolemma
GO:1990425 ryanodine receptor complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8duj, PDBe:8duj, PDBj:8duj
PDBsum8duj
PubMed37224245
UniProtP11716|RYR1_RABIT Ryanodine receptor 1 (Gene Name=RYR1)

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