Structure of PDB 5urq Chain B Binding Site BS01

Receptor Information
>5urq Chain B (length=356) Species: 32022 (Campylobacter jejuni subsp. jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMKIVKRALTFEDVLLRPGYSEVLPKEVKIHTKLTKNITLNMPLISAAM
DTVTEHRAAIMMARLGGLGVIHKNMDIASQVREVKRVKKSEKEYPDANKD
NFGRLRVGAAIGVGQMDRVDALVEAGVDVVVLDSAHGHSKGIIDTVKAIK
AKYPNLDLIAGNIATAAAAKALCEAGVDAVKVGIGPGSICTTRIVSGVGV
PQISAIDECVEEANKFGVPVIADGGIKYSGDIAKALAVGASSVMIGSLLA
GTDESPGELFTYQGRQYKSYRGMGSLGAMQKKLVPEGIEGRVPYVGSIRS
VVHQLLGGLRSSMGYVGAKDIEDFQKRAEFVEITTAGLKESHVHDVTITH
EAPNYK
Ligand information
Ligand IDIMP
InChIInChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyGRSZFWQUAKGDAV-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O
ACDLabs 10.04O=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.7.5c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
CACTVS 3.385O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
FormulaC10 H13 N4 O8 P
NameINOSINIC ACID
ChEMBLCHEMBL1207374
DrugBankDB04566
ZINCZINC000004228242
PDB chain5urq Chain B Residue 500 [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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PDB5urq Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p176
Resolution2.7 Å
Binding residue
(original residue number in PDB)		M48 G298 S299 I300 C301 D334 G335 G357 S358 Y381 G383 M384 G385 E411
Binding residue
(residue number reindexed from 1)		M50 G187 S188 I189 C190 D223 G224 G246 S247 Y270 G272 M273 G274 E286
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 29 04:21:05 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 = '5urq', asym_id = 'B', bs = 'BS01', title = 'Crystal Structure of the Catalytic Domain of the...bacter jejuni in the complex with inhibitor p176 '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5urq', asym_id='B', bs='BS01', title='Crystal Structure of the Catalytic Domain of the...bacter jejuni in the complex with inhibitor p176 ')
   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 = '5urq', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0003938,0006164,0016491', uniprot='', pdbid='5urq', 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>