Structure of PDB 6jrr Chain E Binding Site BS02

Receptor Information

>6jrr Chain E (length=3460) 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
RFRYNEVMQALEEIRDQLLDFHEDLMTHCGIELDLTIRGRLLSLVEKVTY
TLQQLISETMVRWAQESVIEDPELVRAMFVLLHRQYDGIGGLVRALPKTY
TINGVSVEDTINLLASLGQIRSLLSVEEEKLMIRGLGDIMNNKVFYQHPN
LMRALGMHETVMEVMVNVLGPKMVANCCRFLCYFCRISRQNQKAMFDHLS
YLLENSSVTPLDVAAASVMDNNELALALREPDLEKVVRYLAGCGLPVEGE
RYLDFLRFAVFCNGESVEENANVVVRLLIRRPEGLLAAMEEAIKIGNAIM
TFYAALIDLLGRCAPEMHLIHAAKGEAIRIRSILRSLIPLGDLVGVISIA
FQFCPDHKAAMVLFLDRVYVQDFLLHLLEVGFLPDLRAAASLTDMALALN
RYLCTAVLPLLLFAGTEHHASLIDSLLHTVKGCSLTKAQRDSIEVCLLSP
SMMQHLLRRLVFDVPLLNKMPLKLLTNHYERCWKYYCLPGGASEEELHLS
RKLFWGIFDALYEQELFKLALPCLSAVAGALPNFNPQPVDTSNITIPEKL
EYFINKYAEHSHDKWSMDKLANGWIYGEIYSDSSKVQPLMKPYKLLSEKE
KEIYRWPIKESLKTMLAWGWRIERTREGDAAHGYSPRAIDMSNVTLSRDL
HAMAEMMAENYHNIWAKKKKLELESKGGGNHPLLVPYDTLTAKEKAKDRE
KAQDILKFLQINGYAVSRGYFLSAASRPLCSGGHASNKEKEMVFCKLGVL
VRHRISLFGNDATLHILGQTLDARTVMKTGLESVKFLDNAAEDLEKTMEN
LKQGQFTTTVALLPMLSSLFEHIGQHQFLEDVQVSCYRILTSLYALGTSV
ERQRSALGECLAAFAGAAFLETHLDKHNIYSPLYNLPRHRAVNLFLQGYE
KSWIETEEHYFEDKLIEDLAKPRVDPLHQLILLFSRTALTEKCKLEEDFL
YMAYADIMAKSCSFEEKEMEKQKLLYQQARLHDRGAAEMVLQTISASKGE
TGPMVAATLKLGIAILNGGNSTVQQKMLEYLKEKKDVGFFQSLAGLMQSC
SVLDLNAFERQNKAEGLGGEKVLQDDEFTCDLFRFLQLLCEGHNSDFQNY
LRTQTGNNTTVNIIISTVDYLLRVQESISDFYWYYSGKDVIDEQGQRNFS
KAIQVAKQVFNTLTEYIQGPCTGNQQSLAHSRLWDAVVGFLHVFAHMQMK
LSQDSSQIELLKELMDLQKDMVVMLLSMLEGNVVNGTIGKQMVDMLVESS
NNVEMILKFFDMFLKLKDLTSSDTFKEYDPDGKGVISKRDFHKAMESHKH
YTQSETEFLLSCATLDYEEFVKRFHEPAKDIGFNVAVLLTNLSEHMPNDT
RLQTFLELAESVLNYFQPFLGRIEIMGSAKRIERVYFEISESSRTQWEKP
QVKESKRQFIFDVVNEGGEKEKMELFVNFCEDTIFEMQLAAQIAYQQKLL
NYFARNFYNMRMLALFVAFAINFILLFYKVVHYVLEESSGYMEPTLRILA
ILHTVISFFCIIGYYCLKVPLVIFKREKEVARKLEFDGLYITEQPSEDDI
KGQWDRLVINTQSFPNNYWDKFVKRKVMDKYGEFYGRDRISELLGNSIDV
KYQMWKLGVVFTDNSFLYLAWYMTMSVLGHYNNFFFAAHLLDIAMGFKTL
RTILSSVTHNGKQLVLTVGLLAVVVYLYTVVAFNFFRKFYNKSEDGDTPD
MKCDDMLTCYMFHMYVGVRAGGGIGDEIEDPAGDEYEIYRIIFDITFFFF
VIVILLAIIQGLIIDAFGELRDQQEQVKEDMETKCFICGIGNDYFDTVPH
GFETHTLQEHNLANYLFFLMYLINKDETEHTGQESYVWKMYQERCWEFFP
AGDCFRKQYE

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 6jrr Chain E Residue 6001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6jrr Modulation of cardiac ryanodine receptor 2 by calmodulin.
• Resolution: 3.9 Å
• Binding residue (original residue number in PDB): E3849 E3923 T4932
• Binding residue (residue number reindexed from 1): E2691 E2765 T3428
• Annotation score: 5

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 22 16:10:48 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 = '6jrr', asym_id = 'E', bs = 'BS02', title = 'Modulation of cardiac ryanodine receptor 2 by calmodulin.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6jrr', asym_id='E', 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 = '6jrr', asym_id = 'E'

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

    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>