Structure of PDB 6jrs Chain D Binding Site BS03

Receptor Information
>6jrs Chain D (length=3488) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFLRTDDEVVLQCTATIHKEQQKLCLAAEGFGNRLCFLESTSNSKNVPPD
LSICTFVLEQSLSVRALQEMLANGHRTLLYGHAILLRHSYSGMYLCCLST
SRKLAFDVGLQEDTTGEACWWTIHPASKQRSEGEKVRVGDDLILVSVSSE
RYLHLSYLHVDAAFQQTLWSVAPISSAQGYLIGGDVLRLLHGECLTVPSG
EHEQRRTVHYEGGAVSVHARSLWRLETLRVAWSGSHIRWGQPFRLRHVTT
GKYLSLMEDKSLLLMDKEKADVKSTAFTFRSSKERKEVDGMGTSEIKYGD
SVCFIQHIGTGLWLTYQSSIQRKAIMHHEGHMDDGLNLSRSQHEESRTAR
VIRSTVFLFNRFIRGLDALSKKAKASTVDLPIESVSLSLQDLIGYFHPPD
EHLEHEDKQNRLRALKNRQNLFQEEGMINLVLECIDRLHVYSSVAGREAG
ESWKSILNSLYELLAALIRGNRKNCAQFSGSLDWLISRLERLEASSGILE
VLHCVLVESPEALNIIKEGHIKSIISLLDKHGRNHKVLDVLCSLCVCHGV
AVRSNQHLICDNLLPGRDLLLQTRLVNHVSSMRPNIFLGKKWYYELMVDH
TEPFVTAEATHLRVGWASTEGYSPYPGGGEEWGGNGVGDDLFSYGFDGLH
LWSGCIARTVSSPNQHLLRTDDVISCCLDLSAPSISFRINGQPVQGMFEN
FNIDGLFFPVVSFSAGIKVRFLLGEFKFLPPPGYAPCYEAVLPKEKLKVE
HSREYKQERTYTRDLLGPTVSAFTPIPVDTSQIVLPPHLERIREKLAENI
HELWVMNKIELGWQYGPVRDDNKRQHPCLVEFSKLPEQERNYNLQMSLET
LKTLLALGCHVGISDEHAYQLTSGYKPAPMDLSFIKLTPSQEAMVDKLAE
NAHNVWARDRIRQRRNPRLVPYALLDDRTKKSNKDSLREAVRTLLGYGYN
LEARFRIFRAEKTYAVKAGRWYFEFEAVTAGDMRVGWSRPGCQPDQELGS
DERAFAFDGFKAQRWHQGNEHYGRSWQAGDVVGCMVDMTEHTMMFTLNGE
ILLDDSGSELAFKDFDVGDGFIPVCSLGVAQVGRMNFGKDVSTLKYFTIC
GLQEGYEPFAVNTNRDITMWLSKRLPQFLQVPSSHEHIEVTRIDVTQKSF
GSQNSSTDIMFYRLSMPIECTYYYSVRIFPNVWVGWITSDFHQYDTAFDL
VTVTLGDEKGKVHESIKRSNYMVCANNGLEIGCVVGLLTFTANGKDLSTY
YQVEPSTKLFPAVFAQATSPNVFQFEAGLFKSEHKNPVPQCPPRLHVQFL
SHVLWSRMPNQFLKVDVSRISERQGWLVQCLEPLQFMSLHIPEENRSVDI
LELTEQEELLKFHYHTLRLYSAVCALGNHRVAHALCSHVDEPQLLYAIEN
KYMPGLLRAGYYDLLIDIHLSSYATARLMMNNEFIVPMTEETKSITLFPD
PGIGLSTSLRPRMQFSSPSFVSINNECYQYSPEFPLDILKAKTIQMLTEA
VQEGSLHARDPVGGTTEFLFVPLIKLFYTLLIMGIFHNEDLKHILQLIEP
SGLLQMKLPEPVKLQMCLLLQYLCDCQVRHRIEAIVAFSDDFVAKLQDNQ
RFRYNEVMQALCPCPEEIRDQLLDFHEDLMTHCGIELDLTIRGRLLSLVE
KVTYTLQQLISETMVRWAQESVIEDPELVRAMFVLLHRQYDGIGGLVRAL
PKTYTINGVSVEDTINLLASLGQIRSLLSVEEEKLMIRGLGDIMNNKVFY
QHPNLMRALGMHETVMEVMVNVLGPKMVANCCRFLCYFCRISRQNQKAMF
DHLSYLLENSSVTPLDVAAASVMDNNELALALREPDLEKVVRYLAGCGLP
VEGERYLDFLRFAVFCNGESVEENANVVVRLLIRRPEGLLAAMEEAIKIG
NAIMTFYAALIDLLGRCAPEMHLIHAAKGEAIRIRSILRSLIPLGDLVGV
ISIAFQFCPDHKAAMVLFLDRVYVQDFLLHLLEVGFLPDLRAAASLTDMA
LALNRYLCTAVLPLLLFAGTEHHASLIDSLLHTVKGCSLTKAQRDSIEVC
LLSPSMMQHLLRRLVFDVPLLNKMPLKLLTNHYERCWKYYCLPGGASEEE
LHLSRKLFWGIFDALYEQELFKLALPCLSAVAGALPNFNPQPVDTSNITI
PEKLEYFINKYAEHSHDKWSMDKLANGWIYGEIYSDSSKVQPLMKPYKLL
SEKEKEIYRWPIKESLKTMLAWGWRIERTREGDAAHGYSPRAIDMSNVTL
SRDLHAMAEMMAENYHNIWAKKKKLELESKGGGNHPLLVPYDTLTAKEKA
KDREKAQDILKFLQINGYAVSRGYFLSAASRPLCSGGHASNKEKEMVFCK
LGVLVRHRISLFGNDATLHILGQTLDARTVMKTGLESVKFLDNAAEDLEK
TMENLKQGQFTTTVALLPMLSSLFEHIGQHQFLEDVQVSCYRILTSLYAL
GVERQRSALGECLAAFAGAAFLETHLDKHNIYSLLSKQRKRAVVACFRMA
PLYNLPRHRAVNLFLQGYEKSWIETEEHYFEDKLIEDLAKPRVDPLHQLI
LLFSRTALTEKCKLEEDFLYMAYADIMAKSCSFEEKEMEKQKLLYQQARL
HDRGAAEMVLQTISASKGETGPMVAATLKLGIAILNGGNSTVQQKMLEYL
KEKKDVGFFQSLAGLMQSCSVLDLNAFERQNKAEGLGGSGEKVLQDDEFT
CDLFRFLQLLCEGHNSDFQNYLRTQTGNNTTVNIIISTVDYLLRVQESIS
DFYWYYSGKDVIDEQGQRNFSKAIQVAKQVFNTLTEYIQGPCTGNQQSLA
HSRLWDAVVGFLHVFAHMQMKLSQDSSQIELLKELMDLQKDMVVMLLSML
EGNVVNGTIGKQMVDMLVESSNNVEMILKFFDMFLKLKDLTSSDTFKEYD
PDGKGVISKRDFHKAMESHKHYTQSETEFLLSCAETDENETLDYEEFVKR
FHEPAKDIGFNVAVLLTNLSEHMPNDTRLQTFLELAESVLNYFQPFLGRI
EIMGSAKRIERVYFEISESSRTQWEKPQVKESKRQFIFDVVNEGGEKEKM
ELFVNFCEDTIFEMQLAAQIIAYQQKLLNYFARNFYNMRMLALFVAFAIN
FILLFYKVVHYVLEESSGYMEPTLRILAILHTVISFFCIIGYYCLKVPLV
IFKREKEVARKLEFDGLYITEQPSEDDIKGQWDRLVINTQSFPNNYWDKF
VKRKVMDKYGEFYGRDRISELLGNSIDVKYQMWKLGVVFTDNSFLYLAWY
MTMSVLGHYNNFFFAAHLLDIAMGFKTLRTILSSVTHNGKQLVLTVGLLA
VVVYLYTVVAFNFFRKFYNKSEDGDTPDMKCDDMLTCYMFHMYVGVRAGG
GIGDEIEDPAGDEYEIYRIIFDITFFFFVIVILLAIIQGLIIDAFGELRD
QQEQVKEDMETKCFICGIGNDYFDTVPHGFETHTLQEHNLANYLFFLMYL
INKDETEHTGQESYVWKMYQERCWEFFPAGDCFRKQYE
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 chain6jrs Chain D Residue 6002 [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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PDB6jrs Modulation of cardiac ryanodine receptor 2 by calmodulin.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		K4170 M4885 F4890 T4910 L4916
Binding residue
(residue number reindexed from 1)		K3033 M3409 F3414 T3434 L3440
Annotation score1
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 17:35:47 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 = '6jrs', asym_id = 'D', bs = 'BS03', title = 'Modulation of cardiac ryanodine receptor 2 by calmodulin.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6jrs', asym_id='D', bs='BS03', 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 = '6jrs', asym_id = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0005219,0005262,0005509,0006811,0006816,0006874,0016020,0055085,0070588', uniprot='', pdbid='6jrs', asym_id='D')
    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>