Structure of PDB 5urq Chain B Binding Site BS03

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 ID8L7
InChIInChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(12-29)33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20-,21-,22+/m1/s1
InChIKeyRGENKIJBZZZCQP-YSFYHYPLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl
CACTVS 3.385CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[CH]3O[CH](CO)[CH](O)[CH]3O)c2
CACTVS 3.385CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2
ACDLabs 12.01c1(cccc(c1)\C(=C)C)C(C)(NC(Nc3ccc(Cl)c(NC2OC(C(C2O)O)CO)c3)=O)C
OpenEye OEToolkits 2.0.6CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(O3)CO)O)O)Cl
FormulaC24 H30 Cl N3 O5
NameN-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-D-ribofuranosylamine
ChEMBL
DrugBank
ZINCZINC000584905509
PDB chain5urq 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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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)		S436 G439 Y440
Binding residue
(residue number reindexed from 1)		S311 G314 Y315
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Dec 1 20:17:40 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 = 'BS03', 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='BS03', 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>