Structure of PDB 6jh6 Chain H Binding Site BS01

Receptor Information
>6jh6 Chain H (length=3454) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFLRTDDEVVLQCTATIHKEQQKLCLAAEGFGNRLCFLESTSNSKNVPPD
LSICTFVLEQSLSVRALQEMLANTGHRTLLYGHAILLRHSYSGMYLCCLS
TSRSSTDKLAFDVGLQEDTTGEACWWTIHPASKQRSEGEKVRVGDDLILV
SVSSERYLHLSYLHVDAAFQQTLWSVAPISSGSEAAQGYLIGGDVLRLLH
GECLTVPSGEHEQRRTVHYEGGAVSVHARSLWRLETLRVAWSGSHIRWGQ
PFRLRHVTTGKYLSLMEDKSLLLMDKEKADVKSTAFTFRSSKDGMGTSEI
KYGDSVCFIQHIGTGLWLTYQSIQRKAIMHHEGHMDDGLNLSRSQHEESR
TARVIRSTVFLFNRFIRGLDALSKKALPIESVSLSLQDLIGYFHPPDEHL
EHEDKQNRLRALKNRQNLFQEEGMINLVLECIDRLHVYSSVAGREAGESW
KSILNSLYELLAALIRGNRKNCAQFSGSLDWLISRLERLEASSGILEVLH
CVLVESPEALNIIKEGHIKSIISLLDKHGRNHKVLDVLCSLCVCHGVAVR
SNQHLICDNLLPGRDLLLQTRLVNHVSSMRPNIFLGKKWYYELMVDHTEP
FVTAEATHLRVGWASTEGYSPYPGGGEEWGGNGVGDDLFSYGFDGLHLWS
GCIARTVSSPNQHLLRTDDVISCCLDLSAPSISFRINGQPVQGMFENFNI
DGLFFPVVSFSAGIKVRFLLGEFKFLPPPGYAPCYEAVLPKEKLKVEHSR
EYKQERTYTRDLLGPTVSAFTPIPVDTSQIVLPPHLERIREKLAENIHEL
WVMNKIELGWQYGPVRDDNKRQHPCLVEFSKLPEQERNYNLQMSLETLKT
LLALGCHVGISDEHAYQLTSGYKPAPMDLSFIKLTPSQEAMVDKLAENAH
NVWARDRIRQRRNPRLVPYALLDDRTKKSNKDSLREAVRTLLGYGYNLEA
RFRIFRAEKTYAVKAGRWYFEFEAVTAGDMRVGWSRPGCQPDQELGSDER
AFAFDGFKAQRWHQGNEHYGRSWQAGDVVGCMVDMTEHTMMFTLNGEILL
DDSGSELAFKDFDVGDGFIPVCSLGVAQVGRMNFGKDVSTLKYFTICGLQ
EGYEPFAVNTNRDITMWLSKRLPQFLQVPSSHEHIEVTRIDVTQKSFGSQ
NSSTDIMFYRLSMPIECTYYYSVRIFPNVWVGWITSDFHQYDTAFDLVTV
TLGDEKGKVHESIKRSNYMVCANNGLEIGCVVGLLTFTANGKDLSTYYQV
EPSTKLFPAVFAQATSPNVFQFEAGLFKSEHKNPVPQCPPRLHVQFLSHV
LWSRMPNQFLKVDVSRISERQGWLVQCLEPLQFMSLHIPEENRSVDILEL
TEQEELLKFHYHTLRLYSAVCALGNHRVAHALCSHVDEPQLLYAIENKYM
PGLLRAGYYDLLIDIHLSSYATARLMMNNEFIVPMTEETKSITLFPDGLP
GIGLSTSLRPRMQFSSPSFVSINNECYQYSPEFPLDILKAKTIQMLTEAV
QEGSLHARDPVGGTTEFLFVPLIKLFYTLLIMGIFHNEDLKHILQLIEPS
GLLQMKLPEPVKLQMCLLLQYLCDCQVRHRIEAIVAFSDDFVAKLQDNQR
FRYNEVRDQLLDFHEDLMTHCGIELDSDLTIRGRLLSLVEKVTYLTLQQL
ISETMVRWAQESVIEDPELVRAMFVLLHRQYDGIGGLVRALPKTYTINGV
SVEDTINLLASLGQIRSLLSVRMGKEEEKLMIRGLGDIMNNKVFYQHPNL
MRALGMHETVMEVMVNVLGFPKMVANCCRFLCYFCRISRQNQKAMFDHLS
YLLENSSVGLASPAMRGSTPLDVAAASVMDNNELALALREPDLEKVVRYL
AGCGPVEGERYLDFLRFAVFCNGESVEENANVVVRLLIRRPEGLLAAMEE
AIKIGNAIMTFYAALIDLLGRCAEAIRIRSILRSLGDLVGVISIAFQFCP
DHKAAMVLFLDRVYVQDFLLHLLGFLPDLRAAASLTDMALALNRYLCTAV
LPLLLFAGTEHHASLIDSLLHTVKGCSLTKAQRDSIEVCLLSRPSMMQHL
LRRLVFDVPLLNKMPLKLLTNHYERCWKYYCLPGGASEEELHLSRKLFWG
IFDALYEQELFKLALPCLSAVAGALPPNFNPQPVDTSNITIPEKLEYFIN
KYAEHSHDKWSMDKLANGWIYGEIYSDSSKVQPLMKPYKLLSEKEKEIYR
WPIKESLKTMLAWGWRIERTREGDDAAHGYSPRAIDMSNVTLSRDLHAMA
EMMAENYHNIWAKKKKLELESKGGGNHPLLVPYDTLTAKEKAKDREKAQD
ILKFLQINGYAVSRGYFLSAASRPLCSGGHASNKEKEMVFCKLGVLVRHR
ISLFGNDATLHILGQTLDARTVMKTGLESVKFLDNAAEDLEKTMENLKQG
QFTTTVALLPMLSSLFEHIGQHQFLEDVQVSCYRILTSLYALGTSVERQR
SALGECLAAFAGAAFLETHLDKHNIYSYNLPRHRAVNLFLQGYEKSWIET
EEHYFEDKLIEDLAKPRVDPLHQLILLFSRTALTEKCKLEEDFLYMAYAD
IMAKSCSFEEKEMEKQKLLYQQARLHDRGAAEMVLQTISASKGETGPMVA
ATLKLGIAILNGGNSTVQQKMLEYLKEKKDVGFFQSLAGLMQSCSVLDLN
AFERQNKAEGKVLQDDEFTCDLFRFLQLLCEGHNSDFQNYLRTQTGNNTT
VNIIISTVDYLLRVQESISDFYWYYSGKDVIDEQGQRNFSKAIQVAKQVF
NTLTEYIQGPCTGNQQSLAHSRLWDAVVGFLHVFAHMQMKLSQDSSQIEL
LKELMDLQKDMVVMLLSMLEGNVVNGTIGKQMVDMLVESSNNVEMILKFF
DMFLKLKDLTSSDTFKEYDPDGKGVISKRDFHKAMESHKHYTQSETEFLL
SCAETDENETLDYEEFVKRFHEPAKDIGFNVAVLLTNLSEHMPNDTRLQT
FLELAESVLNYFQPFLGRIEIMGSAKRIERVYFEISESSRTQWEKPQVKE
SKRQFIFDVVNEGGEKEKMELFVNFCEDTIFEMQLAAQIIAYQQKLLNYF
ARNFYNMRMLALFVAFAINFILLFYKVSVHYVLEESSGYMEPTLRILAIL
HTVISFFCIIGYYCLKVPLVIFKREKEVARKLEFDGLYITEQPSEDDIKG
QWDRLVINTQSFPNNYWDKFVKRKVMDKYGEFYGRDRISELLGVKYQMWK
LGVVFTDNSFLYLAWYMTMSVLGHYNNFFFAAHLLDIAMGFKTLRTILSS
VTHNGKQLVLTVGLLAVVVYLYTVVAFNFFRKFYNKSEDGDTPDMKCDDM
LTCYMFHMYVGVRAGGGIGDEIEDPAGDEYEIYRIIFDITFFFFVIVILL
AIIQGLIIDAFGELRDQQEQVKEDMETKCFICGIGNDYFDTVPHGFETHT
LQEHNLANYLFFLMYLINKDETEHTGQESYVWKMYQERCWEFFPAGDCFR
KQYE
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 chain6jh6 Chain H Residue 5101 [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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PDB6jh6 Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Resolution4.8 Å
Binding residue
(original residue number in PDB)		R4171 M4885 C4889 T4910 N4915 L4916
Binding residue
(residue number reindexed from 1)		R3003 M3375 C3379 T3400 N3405 L3406
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 18:45:02 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 = '6jh6', asym_id = 'H', bs = 'BS01', title = 'Molecular basis for allosteric regulation of the...nodine receptor channel gating by key modulators.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6jh6', asym_id='H', bs='BS01', title='Molecular basis for allosteric regulation of the...nodine receptor channel gating by key modulators.')
   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 = '6jh6', asym_id = 'H'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0005219,0005262,0005509,0006811,0006816,0006874,0016020,0055085,0070588', uniprot='', pdbid='6jh6', asym_id='H')
    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>