Structure of PDB 6jiy Chain G Binding Site BS03

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 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 chain6jiy Chain G 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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PDB6jiy Modulation of cardiac ryanodine receptor 2 by calmodulin.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		K4170 R4171 F4890 T4910 L4916
Binding residue
(residue number reindexed from 1)		K3062 R3063 F3447 T3467 L3473
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Dec 2 04:00:32 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 = '6jiy', asym_id = 'G', bs = 'BS03', title = 'Modulation of cardiac ryanodine receptor 2 by calmodulin.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6jiy', asym_id='G', 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 = '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')
    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>