Structure of PDB 7tzc Chain I Binding Site BS01

Receptor Information

>7tzc Chain I (length=4404) Species: 9986 (Oryctolagus cuniculus)

EVQFLRTDDEVVLQCSATVLKEQLKLCLAAEGFGNRLCFLEPTSNAQNVP
PDLAICCFTLEQSLSVRALQEMLANHRTLLYGHAILLRHAHSRMYLSCLT
TSRSMTDKLAFDVGLQEDATGEACWWTMHPASKQRSEGEKVRVGDDLILV
SVSSERYLHLSTASGELQVDASFMQTLWNMNPICSCCEEGYVTGGHVLRL
FHGHMDECLTISAADSDDQRRLVYYEGGAVCTHARSLWRLEPLRISWSGS
HLRWGQPLRIRHVTTGRYLALTEDQGLVVVDACKAHTKATSFCFRVSKEK
LDTAPKRDVEGMGPPEIKYGESLCFVQHVASGLWLTYAAPDPKALRLGVL
KKKAILHQEGHMDDALFLTRCQQEESQAARMIHSTAGLYNQFIKGLDSFS
GKPRGSGPPAGPALPIEAVILSLQDLIGYFEPPSEELQHEEKQSKLRSLR
NRQSLFQEEGMLSLVLNCIDRLNVYTTAAHFAEYAGEEAAESWKEIVNLL
YELLASLIRGNRANCALFSTNLDWVVSKLDRLEASSGILEVLYCVLIESP
EVLNIIQENHIKSIISLLDKHGRNHKVLDVLCSLCVCNGVAVRSNQDLIT
ENLLPGRELLLQTNLINYVTSIRPNIFVGRAEGSTQYGKWYFEVMVDEVV
PFLTAQATHLRVGWALTEGYSPYPGGGEGWGGNGVGDDLYSYGFDGLHLW
TGHVARPVTSPGQHLLAPEDVVSCCLDLSVPSISFRINGCPVQGVFEAFN
LDGLFFPVVSFSAGVKVRFLLGGRHGEFKFLPPPGYAPCHEAVLPRERLR
LEPIKEYRREGPRGPHLVGPSRCLSHTDFVPCPVDTVQIVLPPHLERIRE
KLAENIHELWALTRIEQGWTYGPVRDDNKRLHPCLVNFHSLPEPERNYNL
QMSGETLKTLLALGCHVGMADEKAEDNLKKTKLPKTYMMSNGYKPAPLDL
SHVRLTPAQTTLVDRLAENGHNVWARDRVAQGWSYSAVQDIPARRNPRLV
PYRLLDEATKRSNRDSLCQAVRTLLGYGYNIEPPDQEPSQVENQSRWDRV
RIFRAEKSYTVQSGRWYFEFEAVTTGEMRVGWARPELRPDVELGADELAY
VFNGHRGQRWHLGSEPFGRPWQSGDVVGCMIDLTENTIIFTLNGEVLMSD
SGSETAFREIEIGDGFLPVCSLGPGQVGHLNLGQDVSSLRFFAICGLQEG
FEPFAINMQRPVTTWFSKSLPQFEPVPPEHPHYEVARMDGTVDTPPCLRL
AHRTWGSQNSLVEMLFLRLSLPVQFHQHFRCTDNRDDPEIILNTTTYYYS
VRVFAGQEPSCVWVGWVTPDYHQHDMNFDLSKVRAVTVTMGDEQGNVHSS
LKCSNCYMVWGGDFVSPGQQGRISHTDLVIGCLVDLATGLMTFTANGKES
NTFFQVEPNTKLFPAVFVLPTHQNVIQFELGKQKNIMPLSAAMFLSERKN
PAPQCPPRLEVQMLMPVSWSRMPNHFLQVETRRAGERLGWAVQCQDPLTM
MALHIPEENRCMDILELSERLDLQRFHSHTLRLYRAVCALGNNRVAHALC
SHVDQAQLLHALEDAHLPGPLRAGYYDLLISIHLESACRSRRSMLSEYIV
PLTPETRAITLFPPGRKGGNARRHGLPGVGVTTSLRPPHHFSPPCFVAAL
PAAGVAEAPARLSPAIPLEALRDKALRMLGEAVRDGGQHARDPVGGSVEF
QFVPVLKLVSTLLVMGIFGDEDVKQILKMIEPEVFTEELEEGLLQMKLPE
SVKLQMCNLLEYFCDQELQHRVESLAAFAERYVDKLQANQRSRYALLMRA
FTMSAAETARRTREFRSPPQEQINMLLHFKDEADEEDCPLPEDIRQDLQD
FHQDLLAHCGIQLEKKPQSLQELVSHMVVRWAQEDYVQSPELVRAMFSLL
HRQYDGLGELLRALPRAYTISPSSVEDTMSLLECLGQIRSLLIVQMGPQE
ENLMIQSIGNIMNNKVFYQHPNLMRALGMHETVMEVMVNVLGGGETKEIR
FPKMVTSCCRFLCYFCRISRQNQRSMFDHLSYLLENSGIGLGMQGSTPLD
VAAASVIDNNELALALQEQDLEKVVSYLAGCGLQSCPMLLAKGYPDIGWN
PCGGERYLDFLRFAVFVNGESVEENANVVVRLLIRKPECFGPALRGEGGS
GLLAAIEEAIRISEDPARDGPGVPPEENRVHLGHAIMSFYAALIDLLGRC
APEMHLIQAGKGEALRIRAILRSLVPLDDLVGIISLPLQIPTLGKDGALV
QPKMSASFVPDHKASMVLFLDRVYGIENQDFLLHVLDVGFLPDMRAAASL
DTATFSTTEMALALNRYLCLAVLPLITKCAPLFAGTEHRAIMVDSMLHTV
YRLSRGRSLTKAQRDVIEDCLMALCRYIRPSMLQHLLRRLVFDVPILNEF
AKMPLKLLTNHYERCWKYYCLPTGWANFGVTSEEELHLTRKLFWGIFDSL
AHKKYDQELYRMAMPCLCAIAGALPPDYVDASYSSKAEKNFDPRPVETLN
VIIPEKLDSFINKFAEYTHEKWAFDKIQNNWSYGENVDEELKTHPMLRPY
KTFSEKDKEIYRWPIKESLKAMIAWEWTIEKAREGEYNPQPPDLSGVTLS
RELQAMAEQLAENYHNTWGRKKKQELEAKGGGTHPLLVPYDTLTAKEKAR
DREKAQELLKFLQMNGYAVTRLDTSSIEKRFAFGFLQQLLRWMDISQEFI
AHLEAVVSSGRVEKSPHEQEIKFFAKILLPLINQYFTNHCLYFLSTPAKV
LGSGGHASNKEKEMITSLFCKLAALVRHRVSLFGTDAPAVVNCLHILARS
LDARTVMKSGPEIVKAGLRSFFESASEDIEKMVENLRLGKVSKGVGQNLT
YTTVALLPVLTTLFQHIAQHQFGDDVILDDVQVSCYRTLCSIYSLGTTKN
TYVEKLRPALGECLARLAAAMPVAFLEPQLNEYNACSVYTTKSPRERAIL
GLPNSVEEMCPDIPVLDRLMADIGGLAESGARYTEMPHVIEITLPMLCSY
LPRWWERGPEAPPPALPAGAPPPCTAVTSDHLNSLLGNILRIIVNNLGID
EATWMKRLAVFAQPIVSRARPELLHSHFIPTIGRLRKRAGKVVAEEEQLR
LEAKAEAEEGELLVRDEFSVLCRDLYALYPLLIRYVDNNRAHWLTEPNAN
AEELFRMVGEIFIYWSKSHNFKREEQNFVVQNEINNMSFLTADSKSKMAR
RGDRYSVQTSLIVATLKKMLPIGLNMCAPTDQDLIMLAKTRYALKDTDEE
VREFLQNNLHLQGKVEGSPSLRWQMALYRGLPGREEDADDPEKIVRRVQE
VSAVLYHLEQTEHPYKSKKAVWHKLLSKQRRRAVVACFRMTPLYNLPTHR
ACNMFLESYKAAWILTEDHSFEDRMIDDLSKAGEQEEEEEEVEEKKPDPL
HQLVLHFSRTALTEKSKLDEDYLYMAYADIMAKSCHLEVEVSFEEKEMEK
QRLLYQQSRLHTRGAAEMVLQMISACKGETGAMVSSTLKLGISILNGGNA
EVQQKMLDYLKDKKEVGFFQSIQALMQTCSVLDLNAFERQNKAEGLGMVN
EDGTVINRQNGEKVMADDEFTQDLFRFLQLLCEGHNNDFQNYLRTQTGNT
TTINIIICTVDYLLRLQESISDFYWYYSGKDVIEEQGKRNFSKAMSVAKQ
VFNSLTEYIQGPCTGNQQSLAHSRLWDAVVGFLHVFAHMMMKLAQDSSQI
ELLKELLDLQKDMVVMLLSLLEGNVVNGMIARQMVDMLVESSSNVEMILK
FFDMFLKLKDIVGSEAFQDYVTDPRGLISKKDFQKAMDSQKQFTGPEIQF
LLSCSEADENEMINFEEFANRFQEPARDIGFNVAVLLTNLSEHVPHDPRL
RNFLELAESILEYFRPYLGRIEIMGASRRIERIYFEISETNRAQWEMPQV
KESKRQFIFDVVNEGGEAEKMELFVSFCEDTIFEMQIAAQISEPFWGELE
VQRVKFLNYLSRNFYTLRFLALFLAFAINFILLFYKVSDSPPNMVYYFLE
ESTGYMEPALWCLSLLHTLVAFLCIIGYNCLKVPLVIFKREKELARKLEF
DGLYITEQPGDDDVKGQWDRLVLNTPSFPSNYWDKFVKRKVLDKHGDIFG
RERIAELLGMDLASLEITAHNERKPDPPPGLLTWLMSIDVKYQIWKFGVI
FTDNSFLYLGWYMVMSLLGHYNNFFFAAHLLDIAMGVKTLRTILSSVTHN
GKQLVMTVGLLAVVVYLYTVVAFNFFRKFYNKSEDEDEPDMKCDDMMTCY
LFHMYVGVRAGGGIGDEIEDPAGDEYELYRVVFDITFFFFVIVILLAIIQ
GLIIDAFGELRDQQEQVKEDMETKCFICGIGSDYFDTTPHGFETHTLEEH
NLANYMFFLMYLINKDETEHTGQESYVWKMYQERCWDFFPAGDCFRKQYE
DQLS

Ligand information

• Ligand ID: L9R
• InChI: InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,42H,6-20,22,24-41H2,1-5H3/b23-21-/t42-/m0/s1
• InChIKey: ATHVAWFAEPLPPQ-FLHXZNPISA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
  CACTVS 3.370: CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
  ACDLabs 12.01: O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC
  OpenEye OEToolkits 1.7.0: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
  CACTVS 3.370: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
• Formula: C44 H86 N O8 P
• Name: (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate;
  1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine
• PDB chain: 7tzc Chain I Residue 5101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7tzc A drug and ATP binding site in type 1 ryanodine receptor.
• Resolution: 2.45 Å
• Binding residue (original residue number in PDB): W4794 L4801 Y4804 N4805 F4808
• Binding residue (residue number reindexed from 1): W4161 L4168 Y4171 N4172 F4175
• Annotation score: 1

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

External links

• PDB: RCSB:7tzc, PDBe:7tzc, PDBj:7tzc
• PDBsum: 7tzc
• PubMed: 35580609
• UniProt: P11716|RYR1_RABIT Ryanodine receptor 1 (Gene Name=RYR1)