Structure of PDB 8dgf Chain C Binding Site BS01

Receptor Information
>8dgf Chain C (length=1541) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVKPNWDNFKAKFSENPQGNFEWFCYLLFCQEFKMPAGIFRYKNQSGIET
NPITKDNEIIGWQSKFYDTKLSDNKADLIEMIEKSKKAYPGLSKIIFYTN
QEWGQGNSNDPKIKIEVDQKAYESGIEIVWRVASFFESPFVIVENEKIAK
HFFSLNESIFDLLEEKRKHTENVLYEIQTNIEFKDRSIEIDRRHCIELLH
ENLVQKKIVIVSGEGGVGKTAVIKKIYEAEKQYTPFYVFKASEFKKDSIN
ELFGAHGLDDFSNAHQDELRKVIVVDSAEKLLELTNIDPFKEFLTVLIKD
KWQVVFTTRNNYLADLNYAFIDIYKITPGNLVIKNLERGELIELSDNNGF
SLPQDVRLLELIKNPFYLSEYLRFYTGESIDYVSFKEKLWNKIIVKNKPS
REQCFLATAFQRASEGQFFVSPACDTGILDELVKDGIVGYEAAGYFITHD
IYEEWALEKKISVDYIRKANNNEFFEKIGESLPVRRSFRNWISERLLLDD
QSIKPFIAEIVCGEGISNFWKDELWVAVLLSDNSSIFFNYFKRYLLSSDQ
NLLKRLTFLLRLACKDVDYDLLKQLGVSNSDLLSIKYVLTKPKGTGWQSV
IQFIYENLDEIGIRNINFILPVIQEWNQRNKVGETTRLSSLIALKYYQWT
IDEDVYLSGRDNEKNILHTILHGAAMIKPEMEEVLVKVLKNRWKEHGTPY
FDLMTLILTDLDSYPVWASLPEYVLQLADLFWYRPLDIEDEFGLFRSHHD
YYPESPYQTPIYWLLQSQFKKTIDFILDFTNKTTICFAHSHFAKNEIEEV
DVFIEEGKFIKQYICNRLWCSYRGTQVSTYLLSSIHMALEKFFLENFKNA
DSKVLESWLLFLLRNTKSASISAVVTSIVLAFPEKTFNVAKVLFQTKDFF
RFDMNRMVLDRTHKSSLINSLHEEDRIKACDDVHRNTYLENLALHYQIFR
SENVTEKDAIERQQVLWDIFDKYYNQLPDEAQETEADKTWRLCLARMDRR
KMKITTKEKDEGIEISFNPEIDPKLKQYSEEAIKKNSEHMKYVTLKLWAS
YKREKDERYKNYGMYEDNPQIALQETKEIIKKLNEEGGEDFRLLNGNIPA
DVCSVLLLDYFNQLNNEEREYCKDIVLAYSKLPLKEGYNYQVQDGTTSAI
SALPVIYHNYPMERETIKTILLLTLFNDHSIGMAGGRYSVFPSMVIHKLW
LDYFDDMQSLLFGFLILKPKYVILSRKIIHESYRQIKKININKVFLNNYK
HCISNVIDNKISIDDLGSMDKVDLHILNTAFQLIPVDTVNIEHKKLVSLI
VKRFSTSLLSSVREDRVDYALRQSFLERFAYFTLHAPVSDIPDYIKPFLD
GFNGSEPISELFKKFILVEDRLNTYAKFWKVWDLFFDKVVTLCKDGDRYW
YVDKIIKSYLFAESPWKENSNGWHTFKDSNSQFFCDVSRTMGHCPSTLYS
LAKSLNNIASCYLNQGITWLSEILSVNKKLWEKKLENDTVYYLECLVRRY
INNERERIRRTKQLKQEVLVILDFLVEKGSVVGYMSRENIL
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 chain8dgf Chain C Residue 1601 [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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PDB8dgf Prokaryotic innate immunity through pattern recognition of conserved viral proteins.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		I210 G236 G238 K239 T240 A241 R329
Binding residue
(residue number reindexed from 1)		I190 G216 G218 K219 T220 A221 R309
Annotation score5
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Nov 27 20:28:32 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 = '8dgf', asym_id = 'C', bs = 'BS01', title = 'Prokaryotic innate immunity through pattern recognition of conserved viral proteins.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8dgf', asym_id='C', bs='BS01', title='Prokaryotic innate immunity through pattern recognition of conserved viral proteins.')
   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 = '0016887', uniprot = '', pdbid = '8dgf', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016887', uniprot='', pdbid='8dgf', asym_id='C')
    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>