Structure of PDB 5j7i Chain C Binding Site BS01

Receptor Information
>5j7i Chain C (length=455) Species: 634956 (Parageobacillus thermoglucosidasius C56-YS93) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMLRDIDLQSIQEVRNYLEEAKAAQKILEKMTQSEIDKIVESMANAAREE
AGRLAAMAVEETGFGNVEDKTLKNLFAANDVYNSIKDVKTVGIIRRDEEN
RVWEIAQPVGIVAGIIPSTNPTSTVIFKALIAVKARNAIVFSPHPSAAKC
TAEAARIMQEAAERAGAPKGLISCITQPTMAATNELMKHKLTDVILATGG
PGLVKAAYSSGKPAYGVGPGNVPVYIHESANIAKAVQLIIQSKTFDYGTI
CASEQALLVDESIKEKVVAELKQQGAYFLNEEEKQKVASIIMVNGSLNAK
IVGKAPQVIAEMAGIEIPSDVKLLVAEETEVGKEYPFSIEKLSPILAFYI
VKGMEEASELAQKLLEVGGLGHTVGIHAEDEKVIEAYTIDKPAGRIVVNA
GTTFGGIGATVNVKPSLTLGCGAIGNNITSDNVTVTHLFNIKRVAFGVRE
MPKKV
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5j7i Chain C 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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PDB5j7i Structure of an acetylating aldehyde dehydrogenase from the thermophilic ethanologen Geobacillus thermoglucosidasius.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		H166 P167 L225
Binding residue
(residue number reindexed from 1)		H144 P145 L203
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 03:58:00 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 = '5j7i', asym_id = 'C', bs = 'BS01', title = 'Structure of an acetylating aldehyde dehydrogena...ilic ethanologen Geobacillus thermoglucosidasius.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5j7i', asym_id='C', bs='BS01', title='Structure of an acetylating aldehyde dehydrogena...ilic ethanologen Geobacillus thermoglucosidasius.')
   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 = '0016491,0016620', uniprot = '', pdbid = '5j7i', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491,0016620', uniprot='', pdbid='5j7i', 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>