Structure of PDB 7m6a Chain I Binding Site BS01

Receptor Information
>7m6a Chain I (length=4306) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQFLRTDDEVVLQCSATVLKEQLKLCLAAEGFGNRLCFLEPTSNAQNVPP
DLAICCFTLEQSLSVRALQEMLANHRTLLYGHAILLRHAHSRMYLSCLTT
SRSMTDKLAFDVGLQEDATGEACWWTMHPASKQRSEGEKVRVGDDLILVS
VSSERYLHLSTASGELQVDASFMQTLWNMNPICSCCEEGYVTGGHVLRLF
HGHMDECLTISAADSDDQRRLVYYEGGAVCTHARSLWRLEPLRISWSGSH
LRWGQPLRIRHVTTGRYLALTEDQGLVVVDACKAHTKATSFCFRVSKEKL
PKRDVEGMGPPEIKYGESLCFVQHVASGLWLTYAAPDPKALRLGVLKKKA
ILHQEGHMDDALFLTRCQQEESQAARMIHSTAGLYNQFIKGLDSFSGKPR
GSGPPAGPALPIEAVILSLQDLIGYFEPPSEELQHEEKQSKLRSLRNRQS
LFQEEGMLSLVLNCIDRLNVYTTAAHFAEYAGEEAAESWKEIVNLLYELL
ASLIRGNRANCALFSTNLDWVVSKLDRLEASSGILEVLYCVLIESPEVLN
IIQENHIKSIISLLDKHGRNHKVLDVLCSLCVCNGVAVRSNQDLITENLL
PGRELLLQTNLINYVTSIRPNIFVGRAEGSTQYGKWYFEVMVDEVVPFLT
AQATHLRVGWALTEGYSPYPGGGEGWGGNGVGDDLYSYGFDGLHLWTGHV
ARPVTSPGQHLLAPEDVVSCCLDLSVPSISFRINGCPVQGVFEAFNLDGL
FFPVVSFSAGVKVRFLLGGRHGEFKFLPPPGYAPCHEAVLPRERLRLEPI
KEYRREGPRGPHLVGPSRCLSHTDFVPCPVDTVQIVLPPHLERIREKLAE
NIHELWALTRIEQGWTYGPVRDDNKRLHPCLVNFHSLPEPERNYNLQMSG
ETLKTLLALGCHVGMADEKAEDNLKKTKLPKTYMMSNGYKPAPLDLSHVR
LTPAQTTLVDRLAENGHNVWARDRVAQGWSYSAVQDIPARRNPRLVPYRL
LDEATKRSNRDSLCQAVRTLLGYGYNIEPPDQEPSQVENQSRWDRVRIFR
AEKSYTVQSGRWYFEFEAVTTGEMRVGWARPELRPDVELGADELAYVFNG
HRGQRWHLGSEPFGRPWQSGDVVGCMIDLTENTIIFTLNGEVLMSDSGSE
TAFREIEIGDGFLPVCSLGPGQVGHLNLGQDVSSLRFFAICGLQEGFEPF
AINMQRPVTTWFSKSLPQFEPVPPEHPHYEVARMDGTVDTPPCLRLAHRT
WGSQNSLVEMLFLRLSLPVQFHQHFRCTNRDDPEIILNTTTYYYSVRVFA
GQEPSCVWVGWVTPDYHQHDMNFDLSKVRAVTVTMGDEQGNVHSSLKCSN
CYMVWGGDFVRISHTDLVIGCLVDLATGLMTFTANGKESNTFFQVEPNTK
LFPAVFVLPTHQNVIQFELGKQKNIMPLSAAMFLSERKNPAPQCPPRLEV
QMLMPVSWSRMPNHFLQVETRRAGERLGWAVQCQDPLTMMALHIPEENRC
MDILELSERLDLQRFHSHTLRLYRAVCALGNNRVAHALCSHVDQAQLLHA
LEDAHLPGPLRAGYYDLLISIHLESACRSRRSMLSEYIVPLTPETRAITL
FPPGRRHGLPGVGVTTSLRPPHHFSPPCFVAALAPARLSPAIPLEALRDK
ALRMLGEAVRDGGQHARDPVGGSVEFQFVPVLKLVSTLLVMGIFGDEDVK
QILKMIEPEVFTEGLLQMKLPESVKLQMCNLLEYFCDQELQHRVESLAAF
AERYVDKLQANQRSRYALLMRAFTMSAAETARRTREFRSPPQEQINMLLH
FKDEADEEDCPLPEDIRQDLQDFHQDLLAHCGIPQSLQELVSHMVVRWAQ
EDYVQSPELVRAMFSLLHRQYDGLGELLRALPRAYTISPSSVEDTMSLLE
CLGQIRSLLIVQMGPQEENLMIQSIGNIMNNKVFYQHPNLMRALGMHETV
MEVMVNVLGIRFPKMVTSCCRFLCYFCRISRQNQRSMFDHLSYLLENSQG
STPLDVAAASVIDNNELALALQEQDLEKVVSYLAGCGLQSCPMLLAKGYP
DIGWNPCGGERYLDFLRFAVFVNGESVEENANVVVRLLIRKPECFGPALR
GEGGSGLLAAIEEAIRISEDPARDGPNRVHLGHAIMSFYAALIDLLGRCA
PEMHLIQAGKGEALRIRAILRSLVPLDDLVGIISLPLQIPTLGKDGALVQ
PKMSASFVPDHKASMVLFLDRVYGIENQDFLLHVLDVGFLPDMRAAASLD
TATFSTTEMALALNRYLCLAVLPLITKCAPLFAGTEHRAIMVDSMLHTVY
RLSRGRSLTKAQRDVIEDCLMALCRYIRPSMLQHLLRRLVFDVPILNEFA
KMPLKLLTNHYERCWKYYCLPTGWANFGVTSEEELHLTRKLFWGIFDSLA
HKKYDQELYRMAMPCLCAIAGALPPDYVDASYSSKAEKNFDPRPVETLNV
IIPEKLDSFINKFAEYTHEKWAFDKIQNNWSYGENVDEELKTHPMLRPYK
TFSEKDKEIYRWPIKESLKAMIAWEWTIEKAREGEYNPQPPDLSGVTLSR
ELQAMAEQLAENYHNTWGRKKKQELEAKGGGTHPLLVPYDTLTAKEKARD
REKAQELLKFLQMNGYAVTRSSIEKRFAFGFLQQLLRWMDISQEFIAHLE
AVVSSGRVEKSPHEQEIKFFAKILLPLINQYFTNHCLYFLSTPAKVLGSG
GHASNKEKEMITSLFCKLAALVRHRVSLFGTDAPAVVNCLHILARSLDAR
TVMKSGPEIVKAGLRSFFESASEDIEKMVENLRLGKGVGQNLTYTTVALL
PVLTTLFQHIAQHQFGDDVILDDVQVSCYRTLCSIYSLGTTKNTYVEKLR
PALGECLARLAAAMPVAFLEPQLNEYNACSVYTTKSPRERAILGLPNSVE
EMCPDIPVLDRLMADIGGLAESGARYTEMPHVIEITLPMLCSYLPRWWER
GPEAPPPALPAGAPPPCTAVTSDHLNSLLGNILRIIVNNLGIDEATWMKR
LAVFAQPIVSRARPELLHSHFIPTIGRLRKRAGKVVAEEEQLRLEAKAEA
EEGELLVRDEFSVLCRDLYALYPLLIRYVDNNRAHWLTEPNANAEELFRM
VGEIFIYWSKSHNFKREEQNFVVQNEINNMSFLTYSVQTSLIVATLKKML
PIGLNMCAPTDQDLIMLAKTRYALKDTDEEVREFLQNNLHLQGKVEGSPS
LRWQMALYRGLPGREEDADDPEKIVRRVQEVSAVLYHLEQTEHPYKSLSK
QRRRAVVACFRMTPLYNLPTHRACNMFLESYKAAWILTEDHSFEDRMIDD
LSKAGEKKPDPLHQLVLHFSRTALTEKSKLDEDYLYMAYADIMAKSCHLV
SFEEKEMEKQRLLYQQSRLHTRGAAEMVLQMISACKGETGAMVSSTLKLG
ISILNGGNAEVQQKMLDYLKDKKEVGFFQSIQALMQTCSVLDLNAFERQN
KAEGLGMVNEDGTVIEKVMADDEFTQDLFRFLQLLCEGHNNDFQNYLRTQ
TGNTTTINIIICTVDYLLRLQESISDFYWYYSGKDVIEEQGKRNFSKAMS
VAKQVFNSLTEYIQGPCTGNQQSLAHSRLWDAVVGFLHVFAHMMMKLAQD
SSQIELLKELLDLQKDMVVMLLSLLEGNVVNGMIARQMVDMLVESSSNVE
MILKFFDMFLKLKDIVGSEAFQDYVTDPRGLISKKDFQKAMDSQKQFTGP
EIQFLLSCSEADENEMINFEEFANRFQEPARDIGFNVAVLLTNLSEHVPH
DPRLRNFLELAESILEYFRPYLGRIEIMGASRRIERIYFEISETNRAQWE
MPQVKESKRQFIFDVVNEGGEAEKMELFVSFCEDTIFEMQIAAQISEFWG
ELEVQRVKFLNYLSRNFYTLRFLALFLAFAINFILLFYKVSDSPPMVYYF
LEESTGYMEPALWCLSLLHTLVAFLCIIGYNCLKVPLVIFKREKELARKL
EFDGLYITEQPGDDDVKGQWDRLVLNTPSFPSNYWDKFVKRKVLDKHGDI
FGRERIAELLGMDLASLEITAHNERKPDPPPGLLTWLMSIDVKYQIWKFG
VIFTDNSFLYLGWYMVMSLLGHYNNFFFAAHLLDIAMGVKTLRTILSSVT
HNGKQLVMTVGLLAVVVYLYTVVAFNFFRKFYNKSEDEDEPDMKCDDMMT
CYLFHMYVGVRAGGGIGDEIEDPAGDEYELYRVVFDITFFFFVIVILLAI
IQGLIIDAFGELRDQQEQVKEDMETKCFICGIGSDYFDTTPHGFETHTLE
EHNLANYMFFLMYLINKDETEHTGQESYVWKMYQERCWDFFPAGDCFRKQ
YEDQLS
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 chain7m6a Chain I Residue 5301 [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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PDB7m6a High-resolution structure of the membrane-embedded skeletal muscle ryanodine receptor.
Resolution3.36 Å
Binding residue
(original residue number in PDB)		K4211 K4214 M4954 C4958 F4959 T4979 H4983 N4984 L4985
Binding residue
(residue number reindexed from 1)		K3805 K3808 M4223 C4227 F4228 T4248 H4252 N4253 L4254
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:7m6a, PDBe:7m6a, PDBj:7m6a
PDBsum7m6a
PubMed34469755
UniProtP11716|RYR1_RABIT Ryanodine receptor 1 (Gene Name=RYR1)

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