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BioLiP

Structure of PDB 6jiy Chain G Binding Site BS04

Receptor Information
>6jiy Chain G (length=3521) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFLRTDDEVVLQCTATIHKEQQKLCLAAEGFGNRLCFLESTSNSKNVPPD
LSICTFVLEQSLSVRALQEMLANGHRTLLYGHAILLRHSYSGMYLCCLST
SRSSTDKLAFDVGLQEDTTGEACWWTIHPASKQRSEGEKVRVGDDLILVS
VSSERYLHLSYLHVDAAFQQTLWSVAPISSAQGYLIGGDVLRLLHGECLT
VPSGEHEQRRTVHYEGGAVSVHARSLWRLETLRVAWSGSHIRWGQPFRLR
HVTTGKYLSLMEDKSLLLMDKEKADVKSTAFTFRSSKEKLKEVDGMGTSE
IKYGDSVCFIQHIGTGLWLTYQSSIQRKAIMHHEGHMDDGLNLSRSQHEE
SRTARVIRSTVFLFNRFIRGLDALSKKAKASTVDLPIESVSLSLQDLIGY
FHPPDEHLEHEDKQNRLRALKNRQNLFQEEGMINLVLECIDRLHVYSSVA
GREAGESWKSILNSLYELLAALIRGNRKNCAQFSGSLDWLISRLERLEAS
SGILEVLHCVLVESPEALNIIKEGHIKSIISLLDKHGRNHKVLDVLCSLC
VCHGVAVRSNQHLICDNLLPGRDLLLQTRLVNHVSSMRPNIFLGKKWYYE
LMVDHTEPFVTAEATHLRVGWASTEGYSPYPGGGEEWGGNGVGDDLFSYG
FDGLHLWSGCIARTVSSPNQHLLRTDDVISCCLDLSAPSISFRINGQPVQ
GMFENFNIDGLFFPVVSFSAGIKVRFLLGEFKFLPPPGYAPCYEAVLPKE
KLKVEHSREYKQERTYTRDLLGPTVSAFTPIPVDTSQIVLPPHLERIREK
LAENIHELWVMNKIELGWQYGPVRDDNKRQHPCLVEFSKLPEQERNYNLQ
MSLETLKTLLALGCHVGISDEHAYQLTSGYKPAPMDLSFIKLTPSQEAMV
DKLAENAHNVWARDRIRQRRNPRLVPYALLDDRTKKSNKDSLREAVRTLL
GYGYNLEARFRIFRAEKTYAVKAGRWYFEFEAVTAGDMRVGWSRPGCQPD
QELGSDERAFAFDGFKAQRWHQGNEHYGRSWQAGDVVGCMVDMTEHTMMF
TLNGEILLDDSGSELAFKDFDVGDGFIPVCSLGVAQVGRMNFGKDVSTLK
YFTICGLQEGYEPFAVNTNRDITMWLSKRLPQFLQVPSSHEHIEVTRIDV
TQKSFGSQNSSTDIMFYRLSMPIECTYYYSVRIFPNVWVGWITSDFHQYD
TAFDLVTVTLGDEKGKVHESIKRSNYMVCANNGLEIGCVVGLLTFTANGK
DLSTYYQVEPSTKLFPAVFAQATSPNVFQFEAGLFKSEHKNPVPQCPPRL
HVQFLSHVLWSRMPNQFLKVDVSRISERQGWLVQCLEPLQFMSLHIPEEN
RSVDILELTEQEELLKFHYHTLRLYSAVCALGNHRVAHALCSHVDEPQLL
YAIENKYMPGLLRAGYYDLLIDIHLSSYATARLMMNNEFIVPMTEETKSI
TLFPDGLPGIGLSTSLRPRMQFSSPSFVSINNECYQYSPEFPLDILKAKT
IQMLTEAVQEGSLHARDPVGGTTEFLFVPLIKLFYTLLIMGIFHNEDLKH
ILQLIEPSGLLQMKLPEPVKLQMCLLLQYLCDCQVRHRIEAIVAFSDDFV
AKLQDNQRFRYNEVMQALNCPCPEEIRDQLLDFHEDLMTHCGIELDLTIR
GRLLSLVEKVTYTLQQLISETMVRWAQESVIEDPELVRAMFVLLHRQYDG
IGGLVRALPKTYTINGVSVEDTINLLASLGQIRSLLSVEEEKLMIRGLGD
IMNNKVFYQHPNLMRALGMHETVMEVMVNVLGPKMVANCCRFLCYFCRIS
RQNQKAMFDHLSYLLENSSVGLASPAMRGSTPLDVAAASVMDNNELALAL
REPDLEKVVRYLAGCGLPVEGERYLDFLRFAVFCNGESVEENANVVVRLL
IRRPEGLLAAMEEAIKIAEGNAIMTFYAALIDLLGRCAPEMHLIHAAKGE
AIRIRSILRSLIPLGDLVGVISIAFQFCPDHKAAMVLFLDRVYVQDFLLH
LLEVGFLPDLRAAASLTDMALALNRYLCTAVLPLLFAGTEHHASLIDSLL
HTVKGCSLTKAQRDSIEVCLLSRPSMMQHLLRRLVFDVPLLNKMPLKLLT
NHYERCWKYYCLPGGASEEELHLSRKLFWGIFDALYEQELFKLALPCLSA
VAGALPPNFNPQPVDTSNITIPEKLEYFINKYAEHSHDKWSMDKLANGWI
YGEIYSDSSKVQPLMKPYKLLSEKEKEIYRWPIKESLKTMLAWGWRIERT
REGDAAHGYSPRAIDMSNVTLSRDLHAMAEMMAENYHNIWAKKKKLELES
KGGGNHPLLVPYDTLTAKEKAKDREKAQDILKFLQINGYAVSRGYFLSAA
SRPLCSGGHASNKEKEMVFCKLGVLVRHRISLFGNDATLHILGQTLDART
VMKTGLESVKFLDNAAEDLEKTMENLKQGQFTTTVALLPMLSSLFEHIGQ
HQFLEDVQVSCYRILTSLYALGQRSALGECLAAFAGAAFLETHLDKHNIY
SKAVWHKLLSKQRKRAVVACFRMAPLYNLPRHRAVNLFLQGYEKSWIETE
EHYFEDKLIEDLAKPRVDPLHQLILLFSRTALTEKCKLEEDFLYMAYADI
MAKSCSFEEKEMEKQKLLYQQARLHDRGAAEMVLQTISASKGETGPMVAA
TLKLGIAILNGGNSTVQQKMLEYLKEKKDVGFFQSLAGLMQSCSVLDLNA
FERQNKAEGLGMVTEEGSGEKVLQDDEFTCDLFRFLQLLCEGHNSDFQNY
LRTQTGNNTTVNIIISTVDYLLRVQESISDFYWYYSGKDVIDEQGQRNFS
KAIQVAKQVFNTLTEYIQGPCTGNQQSLAHSRLWDAVVGFLHVFAHMQMK
LSQDSSQIELLKELMDLQKDMVVMLLSMLEGNVVNGTIGKQMVDMLVESS
NNVEMILKFFDMFLKLKDLTSSDTFKEYDPDGKGVISKRDFHKAMESHKH
YTQSETEFLLSCAETDENETLDYEEFVKRFHEPAKDIGFNVAVLLTNLSE
HMPNDTRLQTFLELAESVLNYFQPFLGRIEIMGSAKRIERVYFEISESSR
TQWEKPQVKESKRQFIFDVVNEGGEKEKMELFVNFCEDTIFEMQLAAQII
AYQQKLLNYFARNFYNMRMLALFVAFAINFILLFYKVVHYVLEESSGYME
PTLRILAILHTVISFFCIIGYYCLKVPLVIFKREKEVARKLEFDGLYITE
QPSEDDIKGQWDRLVINTQSFPNNYWDKFVKRKVMDKYGEFYGRDRISEL
LGSAVLNSIDVKYQMWKLGVVFTDNSFLYLAWYMTMSVLGHYNNFFFAAH
LLDIAMGFKTLRTILSSVTHNGKQLVLTVGLLAVVVYLYTVVAFNFFRKF
YNKSEDGDTPDMKCDDMLTCYMFHMYVGVRAGGGIGDEIEDPAGDEYEIY
RIIFDITFFFFVIVILLAIIQGLIIDAFGELRDQQEQVKEDMETKCFICG
IGNDYFDTVPHGFETHTLQEHNLANYLFFLMYLINKDETEHTGQESYVWK
MYQERCWEFFPAGDCFRKQYE
Ligand information
Ligand IDCFF
InChIInChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChIKeyRYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cn1cnc2N(C)C(=O)N(C)C(=O)c12
ACDLabs 10.04O=C2N(c1ncn(c1C(=O)N2C)C)C
OpenEye OEToolkits 1.5.0Cn1cnc2c1C(=O)N(C(=O)N2C)C
FormulaC8 H10 N4 O2
NameCAFFEINE;
3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
ChEMBLCHEMBL113
DrugBankDB00201
ZINCZINC000000001084
PDB chain6jiy Chain G Residue 6003 [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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PDB6jiy Modulation of cardiac ryanodine receptor 2 by calmodulin.
Resolution3.9 Å
Binding residue
(original residue number in PDB)
W4646 I4927 Y4945
Binding residue
(residue number reindexed from 1)
W3226 I3484 Y3502
Annotation score1
Gene Ontology
--> -->
 
 
UnboundLocalError
Python 3.6.8: /usr/bin/python3
Tue May 20 22:00:58 2025

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>()
   1701     title=pdb2title(pdbid)
   1702     if bs.startswith("BS"):
=> 1703         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)
   1704     else:
   1705         if lig3:
pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '6jiy', asym_id = 'G', bs = 'BS04', title = 'Modulation of cardiac ryanodine receptor 2 by calmodulin.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6jiy', asym_id='G', bs='BS04', title='Modulation of cardiac ryanodine receptor 2 by calmodulin.')
   1326         display_ec(ec,csaOrig,csaRenu)
   1327     if go:
=> 1328         display_go(go,uniprot,pdbid,asym_id)
   1329     return pubmed,uniprot
   1330 
global display_go = <function display_go>, go = '0005216,0005219,0005262,0005509,0006811,0006816,0006874,0016020,0055085,0070588', uniprot = '', pdbid = '6jiy', asym_id = 'G'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0005219,0005262,0005509,0006811,0006816,0006874,0016020,0055085,0070588', uniprot='', pdbid='6jiy', asym_id='G')
    484         '''.replace("$namespace_link",namespace_link
    485           ).replace("$namespace",namespace
=>  486           ).replace("$uniprot",u
    487         ))
    488         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>