Structure of PDB 8ee7 Chain B Binding Site BS01

Receptor Information
>8ee7 Chain B (length=445) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRIDKLSLLNFRCFKQLDITFDEHITILVAPNGAGKTTVLDAVRLALFPF
IRGFDASLYVKDKSLAIRTEDLRLIYRQEALNMEMSSPAKITATGEWASG
KTATWMLDKRGEQPPHEDKMAAQLTRWGEQLQKRVREEHSLQQVELPLML
YLGTARLWYQRLDNSAFSRLSGYDDCLSATSNYKQFEQWYSWLWLSYREH
QITQLESPEGVRVQRMKEAIQAIQQAINCLTQQVTGWHDLEYSASHNQQL
VMSHPQYGKIPLSQLSDGLRNAVAMVADIAFRCVKLNPHLQNDAALKTQG
IVLIDEVDMFLHPAWQQQIIQSLRSAFPQIQFIVTTHSPQVLSTVKRESI
RLLEQDENGNGKALMPLGATYGEPSNDVLQSVMGVDPQPAVKEKADLQKL
TGWVDQGKYDEPKTQQLMVALEVALGEKHPQLQRLQRSIARQRLL
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 chain8ee7 Chain B Residue 501 [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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PDB8ee7 Structure of focused PtuA(dimer) and PtuB(monomer) complex
Resolution2.72 Å
Binding residue
(original residue number in PDB)		R12 N32 G33 A34 G35 K36 T37 T38 L72
Binding residue
(residue number reindexed from 1)		R12 N32 G33 A34 G35 K36 T37 T38 L72
Annotation score5
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Dec 19 15:57:59 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 = '8ee7', asym_id = 'B', bs = 'BS01', title = 'Structure of focused PtuA(dimer) and PtuB(monomer) complex'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8ee7', asym_id='B', bs='BS01', title='Structure of focused PtuA(dimer) and PtuB(monomer) complex')
   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 = '0006302,0016887', uniprot = '', pdbid = '8ee7', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006302,0016887', uniprot='', pdbid='8ee7', asym_id='B')
    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>