Structure of PDB 6jiu Chain J Binding Site BS01

Receptor Information

>6jiu Chain J (length=3496) Species: 9823 (Sus scrofa)

QFLRTDDEVVLQCTATIHKEQQKLCLAAEGFGNRLCFLESTSNSKNVPPD
LSICTFVLEQSLSVRALQEMLANGHRTLLYGHAILLRHSYSGMYLCCLST
SRKLAFDVGLQEDTTGEACWWTIHPASKQRSEGEKVRVGDDLILVSVSSE
RYLHLSYLHVDAAFQQTLWSVAPISSAQGYLIGGDVLRLLHGECLTVPSG
EHEQRRTVHYEGGAVSVHARSLWRLETLRVAWSGSHIRWGQPFRLRHVTT
GKYLSLMEDKSLLLMDKEKADVKSTAFTFRSSKEKLRKEVDGMGTSEIKY
GDSVCFIQHIGTGLWLTYQSSIQRKAIMHHEGHMDDGLNLSRSQHEESRT
ARVIRSTVFLFNRFIRGLDALSKKAKASTVDLPIESVSLSLQDLIGYFHP
PDEHLEHEDKQNRLRALKNRQNLFQEEGMINLVLECIDRLHVYSSVAGRE
AGESWKSILNSLYELLAALIRGNRKNCAQFSGSLDWLISRLERLEASSGI
LEVLHCVLVESPEALNIIKEGHIKSIISLLDKHGRNHKVLDVLCSLCVCH
GVAVRSNQHLICDNLLPGRDLLLQTRLVNHVSSMRPNIFLGKKWYYELMV
DHTEPFVTAEATHLRVGWASTEGYSPYPGGGEEWGGNGVGDDLFSYGFDG
LHLWSGCIARTVSSPNQHLLRTDDVISCCLDLSAPSISFRINGQPVQGMF
ENFNIDGLFFPVVSFSAGIKVRFLLGEFKFLPPPGYAPCYEAVLPKEKLK
VEHSREYKQERTYTRDLLGPTVSAFTPIPVDTSQIVLPPHLERIREKLAE
NIHELWVMNKIELGWQYGPVRDDNKRQHPCLVEFSKLPEQERNYNLQMSL
ETLKTLLALGCHVGISDEHAYQLTSGYKPAPMDLSFIKLTPSQEAMVDKL
AENAHNVWARDRIRQRRNPRLVPYALLDDRTKKSNKDSLREAVRTLLGYG
YNLEARFRIFRAEKTYAVKAGRWYFEFEAVTAGDMRVGWSRPGCQPDQEL
GSDERAFAFDGFKAQRWHQGNEHYGRSWQAGDVVGCMVDMTEHTMMFTLN
GEILLDDSGSELAFKDFDVGDGFIPVCSLGVAQVGRMNFGKDVSTLKYFT
ICGLQEGYEPFAVNTNRDITMWLSKRLPQFLQVPSSHEHIEVTRIDVTQK
SFGSQNSSTDIMFYRLSMPIECTYYYSVRIFPNVWVGWITSDFHQYDTAF
DLVTVTLGDEKGKVHESIKRSNYMVCANNGLEIGCVVGLLTFTANGKDLS
TYYQVEPSTKLFPAVFAQATSPNVFQFEAGLFKSEHKNPVPQCPPRLHVQ
FLSHVLWSRMPNQFLKVDVSRISERQGWLVQCLEPLQFMSLHIPEENRSV
DILELTEQEELLKFHYHTLRLYSAVCALGNHRVAHALCSHVDEPQLLYAI
ENKYMPGLLRAGYYDLLIDIHLSSYATARLMMNNEFIVPMTEETKSITLF
PDGLPGIGLSTSLRPRMQFSSPSFVSINNECYQYSPEFPLDILKAKTIQM
LTEAVQEGSLHARDPVGGTTEFLFVPLIKLFYTLLIMGIFHNEDLKHILQ
LIEPSGLLQMKLPEPVKLQMCLLLQYLCDCQVRHRIEAIVAFSDDFVAKL
QDNQRFRYNEVMQALNCPCPEEIRDQLLDFHEDLMTHCGIELDLTIRGRL
LSLVEKVTYTLQQLISETMVRWAQESVIEDPELVRAMFVLLHRQYDGIGG
LVRALPKTYTINGVSVEDTINLLASLGQIRSLLSVEEEKLMIRGLGDIMN
NKVFYQHPNLMRALGMHETVMEVMVNVLGPKMVANCCRFLCYFCRISRQN
QKAMFDHLSYLLENSSVTPLDVAAASVMDNNELALALREPDLEKVVRYLA
GCGLPVEGERYLDFLRFAVFCNGESVEENANVVVRLLIRRPEGLLAAMEE
AIKIGNAIMTFYAALIDLLGRCAPEMHLIHAAKGEAIRIRSILRSLIPLG
DLVGVISIAFQFCPDHKAAMVLFLDRVYVQDFLLHLLEVGFLPDLRAAAS
LTDMALALNRYLCTAVLPLLLFAGTEHHASLIDSLLHTVKGCSLTKAQRD
SIEVCLLSPSMMQHLLRRLVFDVPLLNKMPLKLLTNHYERCWKYYCLPGG
ASEEELHLSRKLFWGIFDALYEQELFKLALPCLSAVAGALPPNFNPQPVD
TSNITIPEKLEYFINKYAEHSHDKWSMDKLANGWIYGEIYSDSSKVQPLM
KPYKLLSEKEKEIYRWPIKESLKTMLAWGWRIERTREGDAAHGYSPRAID
MSNVTLSRDLHAMAEMMAENYHNIWAKKKKLELESKGGGNHPLLVPYDTL
TAKEKAKDREKAQDILKFLQINGYAVSRGYFLSAASRPLCSGGHASNKEK
EMVFCKLGVLVRHRISLFGNDATLHILGQTLDARTVMKTGLESVKFLDNA
AEDLEKTMENLKQGQFTTTVALLPMLSSLFEHIGQHQFLEDVQVSCYRIL
TSLYALGTSVERQRSALGECLAAFAGAAFLETHLDKHNIYSLLSKQRKRA
VVACFRMAPLYNLPRHRAVNLFLQGYEKSWIETEEHYFEDKLIEDLAKPR
VDPLHQLILLFSRTALTEKCKLEEDFLYMAYADIMAKSCSFEEKEMEKQK
LLYQQARLHDRGAAEMVLQTISASKGETGPMVAATLKLGIAILNGGNSTV
QQKMLEYLKEKKDVGFFQSLAGLMQSCSVLDLNAFERQNKAEGLGGSGEK
VLQDDEFTCDLFRFLQLLCEGHNSDFQNYLRTQTGNNTTVNIIISTVDYL
LRVQESISDFYWYYSGKDVIDEQGQRNFSKAIQVAKQVFNTLTEYIQGPC
TGNQQSLAHSRLWDAVVGFLHVFAHMQMKLSQDSSQIELLKELMDLQKDM
VVMLLSMLEGNVVNGTIGKQMVDMLVESSNNVEMILKFFDMFLKLKDLTS
SDTFKEYDPDGKGVISKRDFHKAMESHKHYTQSETEFLLSCAETDENETL
DYEEFVKRFHEPAKDIGFNVAVLLTNLSEHMPNDTRLQTFLELAESVLNY
FQPFLGRIEIMGSAKRIERVYFEISESSRTQWEKPQVKESKRQFIFDVVN
EGGEKEKMELFVNFCEDTIFEMQLAAQIIAYQQKLLNYFARNFYNMRMLA
LFVAFAINFILLFYKVVHYVLEESSGYMEPTLRILAILHTVISFFCIIGY
YCLKVPLVIFKREKEVARKLEFDGLYITEQPSEDDIKGQWDRLVINTQSF
PNNYWDKFVKRKVMDKYGEFYGRDRISELLGNSIDVKYQMWKLGVVFTDN
SFLYLAWYMTMSVLGHYNNFFFAAHLLDIAMGFKTLRTILSSVTHNGKQL
VLTVGLLAVVVYLYTVVAFNFFRKFYNKSEDGDTPDMKCDDMLTCYMFHM
YVGVRAGGGIGDEIEDPAGDEYEIYRIIFDITFFFFVIVILLAIIQGLII
DAFGELRDQQEQVKEDMETKCFICGIGNDYFDTVPHGFETHTLQEHNLAN
YLFFLMYLINKDETEHTGQESYVWKMYQERCWEFFPAGDCFRKQYE

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 6jiu Chain J Residue 6000

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6jiu Modulation of cardiac ryanodine receptor 2 by calmodulin.
• Resolution: 4.2 Å
• Binding residue (original residue number in PDB): I4891 C4892 H4914
• Binding residue (residue number reindexed from 1): I3423 C3424 H3446
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 22 16:42:25 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 = '6jiu', asym_id = 'J', bs = 'BS01', title = 'Modulation of cardiac ryanodine receptor 2 by calmodulin.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6jiu', asym_id='J', bs='BS01', 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 = '6jiu', asym_id = 'J'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0005219,0005262,0005509,0006811,0006816,0006874,0016020,0055085,0070588', uniprot='', pdbid='6jiu', asym_id='J')

    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>