Structure of PDB 5urq Chain D Binding Site BS03

Receptor Information

>5urq Chain D (length=359) Species: 32022 (Campylobacter jejuni subsp. jejuni)

AMKIVKRALTFEDVLLRPGYSEVLPKEVKIHTKLTKNITLNMPLISAAMD
TVTEHRAAIMMARLGGLGVIHKNMDIASQVREVKRVKKSESGKKRKEYPD
ANKDNFGRLRVGAAIGVGQMDRVDALVEAGVDVVVLDSAHGHSKGIIDTV
KAIKAKYPNLDLIAGNIATAAAAKALCEAGVDAVKVGIGPGSICTTRIVS
GVGVPQISAIDECVEEANKFGVPVIADGGIKYSGDIAKALAVGASSVMIG
SLLAGTDESPGELFTYQGRQYKSYRGMGSLGAMQLVPEGIEGRVPYVGSI
RSVVHQLLGGLRSSMGYVGAKDIEDFQKRAEFVEITTAGLKESHVHDVTI
THEAPNYKV

Ligand information

• Ligand ID: 8L7
• InChI: InChI=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
• InChIKey: RGENKIJBZZZCQP-YSFYHYPLSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: CC(=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 3.385: CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[CH]3O[CH](CO)[CH](O)[CH]3O)c2
  CACTVS 3.385: CC(=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 12.01: c1(cccc(c1)\C(=C)C)C(C)(NC(Nc3ccc(Cl)c(NC2OC(C(C2O)O)CO)c3)=O)C
  OpenEye OEToolkits 2.0.6: CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(O3)CO)O)O)Cl
• Formula: C24 H30 Cl N3 O5
• Name: N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-D-ribofuranosylamine
• ZINC: ZINC000584905509
• PDB chain: 5urq Chain D Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5urq Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p176
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): V224 S245 A246 S250 G252 G385 M390 E411
• Binding residue (residue number reindexed from 1): V117 S138 A139 S143 G145 G278 M283 E288
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 15 14:30:01 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 = 'D', 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='D', 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 = 'D'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0003938,0006164,0016491', uniprot='', pdbid='5urq', asym_id='D')

    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>