Structure of PDB 6ji0 Chain A Binding Site BS02

Receptor Information
>6ji0 Chain A (length=3476) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFLRTDDEVVLQCTATIHKEQQKLCLAAEGFGNRLCFLESTSNSKNVPPD
LSICTFVLEQSLSVRALQEMLANTFMMKTAQGGGHRTLLYGHAILLRHSY
SGMYLCCLSTSRSSTDKLAFDVGLQEDTTGEACWWTIHPASKQRSEGEKV
RVGDDLILVSVSSERYLHLSYLHVDAAFQQTLWSVAPISSGSEAAQGYLI
GGDVLRLLHGECLTVPSGEHEQRRTVHYEGGAVSVHARSLWRLETLRVAW
SGSHIRWGQPFRLRHVTTGKYLSLMEDKSLLLMDKEKADVKSTAFTFRSS
KEKRKEVDGMGTSEIKYGDSVCFIQHIGTGLWLTYQSSIQRKAIMHHEGH
MDDGLNLSRSQHEESRTARVIRSTVFLFNRFIRGLDALSKKAKASTVDLP
IESVSLSLQDLIGYFHPPDEHLEHEDKQNRLRALKNRQNLFQEEGMINLV
LECIDRLHVYSSVAGREAGESWKSILNSLYELLAALIRGNRKNCAQFSGS
LDWLISRLERLEASSGILEVLHCVLVESPEALNIIKEGHIKSIISLLDKH
GRNHKVLDVLCSLCVCHGVAVRSNQHLICDNLLPGRDLLLQTRLVNHVSS
MRPNIFLGKKWYYELMVDHTEPFVTAEATHLRVGWASTEGYSPYPGGGEE
WGGNGVGDDLFSYGFDGLHLWSGCIARTVSSPNQHLLRTDDVISCCLDLS
APSISFRINGQPVQGMFENFNIDGLFFPVVSFSAGIKVRFLLGEFKFLPP
PGYAPCYEAVLPKEKLKVEHSREYKQERTYTRDLLGPTVSAFTPIPVDTS
QIVLPPHLERIREKLAENIHELWVMNKIELGWQYGPVRDDNKRQHPCLVE
FSKLPEQERNYNLQMSLETLKTLLALGCHVGISDEHAYQLTSGYKPAPMD
LSFIKLTPSQEAMVDKLAENAHNVWARDRIRQRRNPRLVPYALLDDRTKK
SNKDSLREAVRTLLGYGYNLEARFRIFRAEKTYAVKAGRWYFEFEAVTAG
DMRVGWSRPGCQPDQELGSDERAFAFDGFKAQRWHQGNEHYGRSWQAGDV
VGCMVDMTEHTMMFTLNGEILLDDSGSELAFKDFDVGDGFIPVCSLGVAQ
VGRMNFGKDVSTLKYFTICGLQEGYEPFAVNTNRDITMWLSKRLPQFLQV
PSSHEHIEVTRIDVTQKSFGSQNSSTDIMFYRLSMPIECTYYYSVRIFPN
VWVGWITSDFHQYDTAFDLVTVTLGDEKGKVHESIKRSNYMVCANGLEIG
CVVGLLTFTANGKDLSTYYQVEPSTKLFPAVFAQATSPNVFQFEAGLFKS
EHKNPVPQCPPRLHVQFLSHVLWSRMPNQFLKVDVSRISERQGWLVQCLE
PLQFMSLHIPEENRSVDILELTEQEELLKFHYHTLRLYSAVCALGNHRVA
HALCSHVDEPQLLYAIENKYMPGLLRAGYYDLLIDIHLSSYATARLMMNN
EFIVPMTEETKSITLFPDGLPGIGLSTSLRPRMQFSSPSFVSINNECYQY
SPEFPLDILKAKTIQMLTEAVQEGSLHARDPVGGTTEFLFVPLIKLFYTL
LIMGIFHNEDLKHILQLIEPSGLLQMKLPEPVKLQMCLLLQYLCDCQVRH
RIEAIVAFSDDFVAKLQDNQRFRYNEVRDQLLDFHEDLMTHCGIELDSDL
TIRGRLLSLVEKVTYTLQQLISETMVRWAQESVIEDPELVRAMFVLLHRQ
YDGIGGLVRALPKTYTINGVSVEDTINLLASLGQIRSLLSVRMGKEEEKL
MIRGLGDIMNNKVFYQHPNLMRALGMHETVMEVMVNVLGFPKMVANCCRF
LCYFCRISRQNQKAMFDHLSYLLENSSVGLASPAMRGSTPLDVAAASVMD
NNELALALREPDLEKVVRYLAGCGPVEGERYLDFLRFAVFCNGESVEENA
NVVVRLLIRRGLLAAMEEAIKIGNAIMTFYAALIDLLGRCAEAIRIRSIL
RGDLVGVISIAFQFCPDHKAAMVLFLDRVYVQDFLLHLLGFLPDLRAAAS
LTDMALALNRYLCTAVLPLLFAGTEHHASLIDSLLHTVKGCSLTKAQRDS
IEVCLLSRPSMMQHLLRRLVFDVPLLNKMPLKLLTNHYERCWKYYCLPGG
ASEEELHLSRKLFWGIFDALYEQELFKLALPCLSAVAGALPPNFNPQPVD
TSNITIPEKLEYFINKYAEHSHDKWSMDKLANGWIYGEIYSDSSKVQPLM
KPYKLLSEKEKEIYRWPIKESLKTMLAWGWRIERTREGDAAHGYSPRAID
MSNVTLSRDLHAMAEMMAENYHNIWAKKKKLELESKGGGNHPLLVPYDTL
TAKEKAKDREKAQDILKFLQINGYAVSRGYFLSAASRPLCSGGHASNKEK
EMVFCKLGVLVRHRISLFGNDATLHILGQTLDARTVMKTGLESVKFLDNA
AEDLEKTMENLKQGQFTTTVALLPMLSSLFEHIGQHQFLEDVQVSCYRIL
TSLYALGTSVERQRSALGECLAAFAGAAFLETHLDKHNIYSYNLPRHRAV
NLFLQGYEKSWIETEEHYFEDKLIEDLAKPRVDPLHQLILLFSRTALTEK
CKLEEDFLYMAYADIMAKSCSFEEKEMEKQKLLYQQARLHDRGAAEMVLQ
TISASKGETGPMVAATLKLGIAILNGGNSTVQQKMLEYLKEKKDVGFFQS
LAGLMQSCSVLDLNAFERQNKAEGKVLQDDEFTCDLFRFLQLLCEGHNSD
FQNYLRTQTGNNTTVNIIISTVDYLLRVQESISDFYWYYSGKDVIDEQGQ
RNFSKAIQVAKQVFNTLTEYIQGPCTGNQQSLAHSRLWDAVVGFLHVFAH
MQMKLSQDSSQIELLKELMDLQKDMVVMLLSMLEGNVVNGTIGKQMVDML
VESSNNVEMILKFFDMFLKLKDLTSSDTFKEYDPDGKGVISKRDFHKAME
SHKHYTQSETEFLLSCAETDENETLDYEEFVKRFHEPAKDIGFNVAVLLT
NLSEHMPNDTRLQTFLELAESVLNYFQPFLGRIEIMGSAKRIERVYFEIS
ESSRTQWEKPQVKESKRQFIFDVVNEGGEKEKMELFVNFCEDTIFEMQLA
AQIIAYQQKLLNYFARNFYNMRMLALFVAFAINFILLFYKVSVHYVLEES
SGYMEPTLRILAILHTVISFFCIIGYYCLKVPLVIFKREKEVARKLEFDG
LYITEQPSEDDIKGQWDRLVINTQSFPNNYWDKFVKRKVMDKYGEFYGRD
RISELLGSAVLNSIDVKYQMWKLGVVFTDNSFLYLAWYMTMSVLGHYNNF
FFAAHLLDIAMGFKTLRTILSSVTHNGKQLVLTVGLLAVVVYLYTVVAFN
FFRKFYNKSEDGDTPDMKCDDMLTCYMFHMYVGVRAGGGIGDEIEDPAGD
EYEIYRIIFDITFFFFVIVILLAIIQGLIIDAFGELRDQQEQVKEDMETK
CFICGIGNDYFDTVPHGFETHTLQEHNLANYLFFLMYLINKDETEHTGQE
SYVWKMYQERCWEFFPAGDCFRKQYE
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 chain6ji0 Chain A Residue 5101 [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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PDB6ji0 Modulation of cardiac ryanodine receptor 2 by calmodulin.
Resolution4.2 Å
Binding residue
(original residue number in PDB)		K4167 K4170 R4171 M4885 E4886 C4889 F4890 F4906 T4910 L4916
Binding residue
(residue number reindexed from 1)		K3013 K3016 R3017 M3397 E3398 C3401 F3402 F3418 T3422 L3428
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Nov 26 08:42:57 2024

A problem occurred in a Python script. Here is the sequence of function calls leading up to the error, in the order they occurred.

 /var/www/html/BioLiP/pdb.cgi in <module>()
   1435     title=pdb2title(pdbid)
   1436     if bs.startswith("BS"):
=> 1437         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)
   1438     else:
   1439         if lig3:
pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '6ji0', asym_id = 'A', bs = 'BS02', title = 'Modulation of cardiac ryanodine receptor 2 by calmodulin.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6ji0', asym_id='A', bs='BS02', title='Modulation of cardiac ryanodine receptor 2 by calmodulin.')
   1295         display_ec(ec,csaOrig,csaRenu)
   1296     if go:
=> 1297         display_go(go,uniprot,pdbid,asym_id)
   1298     return pubmed,uniprot
   1299 
global display_go = <function display_go>, go = '0005216,0005219,0005262,0005509,0006811,0006816,0006874,0016020,0055085,0070588', uniprot = '', pdbid = '6ji0', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0005219,0005262,0005509,0006811,0006816,0006874,0016020,0055085,0070588', uniprot='', pdbid='6ji0', asym_id='A')
    480         '''.replace("$namespace_link",namespace_link
    481           ).replace("$namespace",namespace
=>  482           ).replace("$uniprot",u
    483         ))
    484         for l,(term,name) in enumerate(go2aspect[Aspect]):
u undefined

UnboundLocalError: local variable 'u' referenced before assignment
      args = ("local variable 'u' referenced before assignment",)
      with_traceback = <built-in method with_traceback of UnboundLocalError object>