Structure of PDB 6jrs Chain D Binding Site BS01

Receptor Information

>6jrs Chain D (length=3488) Species: 9823 (Sus scrofa)

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 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: 6jrs Chain D Residue 6000

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6jrs Modulation of cardiac ryanodine receptor 2 by calmodulin.
• Resolution: 3.7 Å
• Binding residue (original residue number in PDB): C4889 C4892 H4909 H4914
• Binding residue (residue number reindexed from 1): C3413 C3416 H3433 H3438
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 22 17:17:06 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 = 'BS01', title = 'Modulation of cardiac ryanodine receptor 2 by calmodulin.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6jrs', asym_id='D', 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 = '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>