Structure of PDB 6m2w Chain D Binding Site BS03

Receptor Information
>6m2w Chain D (length=3949) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFLRTDDEVVLQCSAEQLKLCLAAEGFGNRLCFLEPTSNAQNVPPDLAIC
CFTLEQSLSVRALQEMLANGHRTLLYGHAILLRHAHSRMYLSCLTTSRSM
TDKLAFDVGLQEDATGEACWWTMHPASKQRSEGEKVRVGDDLILVSVSSE
RYLHLSTASGELQVDASFMQTLWNMNPICSCCEEGYVTGGHVLRLFHECL
TISAQRRLVYYEGGAVCTHARSLWRLEPLRISWSGSHLRWGQPLRIRHVT
TGRYLALVVVDACKAHTKATSFCFRVSKEKLGMGPPEIKYGESLCFVQHV
ASGLWLTYALKKKAILHQEGHMDDALFLTRCQQEESQAARMIHSTAGLYN
QFIKGLDSFSGKPRGPALPIEAVILSLQDLIGYFEPPSEELQHEEKQSKL
RSLRNRQSLFQEEGMLSLVLNCIDRLNVYTTAAHFAEYAGEEAAESWKEI
VNLLYELLASLIRGNRANCALFSTNLDWVVSKLDRLEASSGILEVLYCVL
IESPEVLNIIQENHIKSIISLLDKHGRNHKVLDVLCSLCVCNGVAVRSNQ
DLITENLLPGRELLLQTNLINYVTSIRPNIFVGRAEGSTQYGKWYFEVMV
DEVVPFLTAQATHLRVGWALTEGYSPYPGGGEGWGGNGVGDDLYSYGFDG
LHLWTGHVARPVTSPGQHLLAPEDVVSCCLDLSVPSISFRINGCPVQGVF
EAFNLDGLFFPVVSFSAGVKVRFLLGGRHGEFKFLPPPGYAPCHEAVLPR
ERLRLEPIKEYRREGPRPHLVGPSRCLSHTDFVPCPIVLPPHLERIREKL
AENIHELWALTRIEQGWTYGPVRDDNKRLHPCLVNFHSLPEPERNYNLQM
SGETLKTLLALGCHVGMADEKAEDNLKKTKLPKTYMMSNGYKPAPLDLSH
VRLTPAQTTLVDRLAENGHNVWARDRVAQGWSYSAVQDIPARRNPRLVPY
RLLDEATKRSNRDSLCQAVRTLLGYGYNIEPDRVRIFRAEKSYTVQSGRW
YFEFEAVTTGEMRVGWARPELRPDVELGADELAYVFNGHRGQRWHLGSEP
FGRPWQSGDVVGCMIDLTENTIIFTLNGEVLMSDSGSETAFREIEIGDGF
LPVCSLGPGQVGHLNLGQDVSSLRFFAICGLQEGFEPFAINMQRPVTTWF
SKSLPQFEPVPPEHPHYEVARMDGTVDTPPCLRLAHRTWGSQNSLVEMLF
LRLSLPVQFHQHFRCDDPEIILNTTTYYYSVRVFAGQEPSCVWVGWVTPD
YHQHDMNFDLSKVRAVTVTMGDEQGNVHSSLKCSNCYMVWGGDFVISHTD
LVIGCLVDLATGLMTFTANGKESNTFFQVEPNTKLFPAVFVLPTHQNVIQ
FELGKQKNIMPLSAAMFLSERKNPAPQCPPRLEVQMLMPVSWSRMPNHFL
QVETRRAGERLGWAVQCQDPLTMMALHIPEENRCMDILELSERLDLQRFH
SHTLRLYRAVCALGNNRVAHALCSHVDQAQLLHALEDAHLPGPLRAGYYD
LLISIHLESACRSRRSMLSEYIVPLTPETRAITLFPPGRRHGLPGVGVTT
SLRPPHHFSPPCFVAALPAEAPARLSPAIPLEALRDKALRMLGEAVRDGG
QHARDPVGGSVEFQFVPVLKLVSTLLVMGIFGDEDVKQILKMIEPEVFTE
EEGLLQMKLPESVKLQMCNLLEYFCDQELQHRVESLAAFAERYVDKLQAN
QRSRYALLMRAFTMSAAETARRTREFRSPPQEQINMLLHFKDDCPLPEDI
RQDLQDFHQDLLAHCGIQLEPQSLQELVSHMVVRWAQEDYVQSPELVRAM
FSLLHRQYDGLGELLRALPRAYTISPSSVEDTMSLLECLGQIRSLLIVQM
GPQEENLMIQSIGNIMNNKVFYQHPNLMRALGMHETVMEVMVNVLGEIRF
PKMVTSCCRFLCYFCRISRQNQRSMFDHLSYLLENSGMQGSTPLDVAAAS
VIDNNELALALQEQDLEKVVSYLAGCGLQSCPMLLAKGYPDIGWNPCGGE
RYLDFLRFAVFVNGESVEENANVVVRLLIRKPECFGPALRGSGLLAAIEE
AIRISEDPARDGPNRVHLGHAIMSFYAALIDLLGRCAPEMHLIQAGKGEA
LRIRAILRSLVPLDDLVGIISLPLQIPTLVQPKMSASFVPDHKASMVLFL
DRVYGIENQDFLLHVLDVGFLPDMRAAASLDTEMALALNRYLCLAVLPLI
TKCAPLFAGTEHRAIMVDSMLHTVYRLSRGRSLTKAQRDVIEDCLMALCR
YIRPSMLQHLLRRLVFDVPILNAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAETLNVIIPEKLDSFINKFAEYTHEKWAF
DKIQNNWSYGENVDEELKTHPMLRPYKTFSEKDKEIYRWPIKESLKAMIA
WEWTIEKAREGEYNPQPPDLSGVTLSRELQAMAEQLAENYHNTWGRKKKQ
ELEALVPYDTLTAKEKARDREKAQELLKFLQMNGYAVTRAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAALLSKQRRRAVVACFRMTPLYNLPTHRACNM
FLESYKAAWILTEDHSFEDRMIDDLSKAGEQEKKPDPLHQLVLHFSRTAL
TEKSKLDEDYLYMAYADIMAKSCHLEEEVSFEEKEMEKQRLLYQQSRLHT
RGAAEMVLQMISACKGETGAMVSSTLKLGISILNGGNAEVQQKMLDYLKD
KKEVGFFQSIQALMQTCSVLDLNAFERQNKAEGLGMVNEDGTVINRQNGE
KVMADDEFTQDLFRFLQLLCEGHNNDFQNYLRTQTGNTTTINIIICTVDY
LLRLQESISDFYWYYSGKDVIEEQGKRNFSKAMSVAKQVFNSLTEYIQGP
CTGNQQSLAHSRLWDAVVGFLHVFAHMMMKLAQDSSQIELLKELLDLQKD
MVVMLLSLLEGNVVNGMIARQMVDMLVESSSNVEMILKFFDMFLKLKDIV
GSEAFQDYVTDPRGLISKKDFQKAMDSQKQFTGPEIQFLLSCSEADENEM
INFEEFANRFQEPARDIGFNVAVLLTNLSEHVPHDPRLRNFLELAESILE
YFRPYLGRIEIMGASRRIERIYFEISETNRAQWEMPQVKESKRQFIFDVV
NEGGEAEKMELFVSFCEDTIFEMQIAAQISEAAAAAAAAAAAAAAAAAAA
AAWGELEVQRVKFLNYLSRNFYTLRFLALFLAFAINFILLFYKVSDSPPN
MVYYFLEESTGYMEPALWCLSLLHTLVAFLCIIGYNCLKVPLVIFKREKE
LARKLEFDGLYITEQPDVKGQWDRLVLNTPSFPSNYWDKFVKRKVLDKHG
DIFGRERIAELLGMDLASLEITAHNERTWLMSIDVKYQIWKFGVIFTDNS
FLYLGWYMVMSLLGHYNNFFFAAHLLDIAMGVKTLRTILSSVTHNGKQLV
MTVGLLAVVVYLYTVVAFNFFRKFYNKSEDEDEPDMKCDDMMTCYLFHMY
VGVRAGGGIGDEIEDPAGDEYELYRVVFDITFFFFVIVILLAIIQGLIID
AFGELRDQQEQVKEDMETKCFICGIGSDYFDTTPHGFETHTLEEHNLANY
MFFLMYLINKDETEHTGQESYVWKMYQERCWDFFPAGDCFRKQYEDQLS
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 chain6m2w Chain D 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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PDB6m2w Structural basis for diamide modulation of ryanodine receptor.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		K4214 M4954 K4957 C4958 T4979 H4983 N4984
Binding residue
(residue number reindexed from 1)		K3442 M3866 K3869 C3870 T3891 H3895 N3896
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:6m2w, PDBe:6m2w, PDBj:6m2w
PDBsum6m2w
PubMed32807966
UniProtP11716|RYR1_RABIT Ryanodine receptor 1 (Gene Name=RYR1)

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