Structure of PDB 5uqg Chain B Binding Site BS03

Receptor Information
>5uqg Chain B (length=361) Species: 32022 (Campylobacter jejuni subsp. jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMKIVKRALTFEDVLLRPGYSEVLPKEVKIHTKLTKNITLNMPLISAAMD
TVTEHRAAIMMARLGGLGVIHKNMDIASQVREVKRVKKSDLKKRKEYPDA
NKDNFGRLRVGAAIGVGQMDRVDALVEAGVDVVVLDSAHGHSKGIIDTVK
AIKAKYPNLDLIAGNIATAAAAKALCEAGVDAVKVGIGPGSICTTRIVSG
VGVPQISAIDECVEEANKFGVPVIADGGIKYSGDIAKALAVGASSVMIGS
LLAGTDESPGELFTYQGRQYKSYRGMGSLGAMQKGSKLVPEGIEGRVPYV
GSIRSVVHQLLGGLRSSMGYVGAKDIEDFQKRAEFVEITTAGLKESHVHD
VTITHEAPNYK
Ligand information
Ligand ID8L4
InChIInChI=1S/C17H19ClN4O2/c1-17(2,12-5-3-4-11(10-12)15(19)22-24)21-16(23)20-14-8-6-13(18)7-9-14/h3-10,24H,1-2H3,(H2,19,22)(H2,20,21,23)
InChIKeyNZOIAPIDYRJDOM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)(c1cccc(c1)C(=N)NO)NC(=O)Nc2ccc(cc2)Cl
CACTVS 3.385CC(C)(NC(=O)Nc1ccc(Cl)cc1)c2cccc(c2)C(=N)NO
OpenEye OEToolkits 2.0.6[H]/N=C(/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Cl)\NO
ACDLabs 12.01C(=N)(\c1cccc(c1)C(C)(C)NC(Nc2ccc(Cl)cc2)=O)NO
FormulaC17 H19 Cl N4 O2
Name3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide
ChEMBL
DrugBank
ZINCZINC000584905504
PDB chain5uqg Chain B Residue 503 [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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PDB5uqg Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p200
Resolution2.03 Å
Binding residue
(original residue number in PDB)		A246 M384 G385 M390 L408 E411
Binding residue
(residue number reindexed from 1)		A138 M276 G277 M282 L288 E291
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 14:55:07 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 = '5uqg', asym_id = 'B', bs = 'BS03', title = 'Crystal Structure of the Catalytic Domain of the...bacter jejuni in the complex with inhibitor p200 '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5uqg', asym_id='B', bs='BS03', title='Crystal Structure of the Catalytic Domain of the...bacter jejuni in the complex with inhibitor p200 ')
   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 = '0003824,0003938,0006164,0016491', uniprot = '', pdbid = '5uqg', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0003938,0006164,0016491', uniprot='', pdbid='5uqg', 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>