Structure of PDB 6mgr Chain B Binding Site BS01

Receptor Information
>6mgr Chain B (length=359) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMKIVKRALTFEDVLLRPGYSEVLPKEVKIHTKLTKNITLNMPLISAAMD
TVTEHRAAIMMARLGGLGVIHKNMDIASQVREVKRVKKSEKRKEYPDANK
DNFGRLRVGAAIGVGQMDRVDALVEAGVDVVVLDSAHGHSKGIIDTVKAI
KAKYPNLDLIAGNIATAAAAKALCEAGVDAVKVGIGPGSICTTRIVSGVG
VPQISAIDECVEEANKFGVPVIADGGIKYSGDIAKALAVGASSVMIGSLL
AGTDESPGELFTYQGRQYKSYRGMGSLGAMQYFQKLVPEGIEGRVPYVGS
IRSVVHQLLGGLRSSMGYVGAKDIEDFQKRAEFVEITTAGLKESHVHDVT
ITHEAPNYK
Ligand information
Ligand IDJQS
InChIInChI=1S/C10H15N4O9P/c11-2-12-8-5(10(17)18)13-3-14(8)9-7(16)6(15)4(23-9)1-22-24(19,20)21/h2-4,6-7,9,15-16H,1H2,(H2,11,12)(H,17,18)(H2,19,20,21)/t4-,6-,7-,9-/m1/s1
InChIKeyCEVAZLJDKSQTJT-FJGDRVTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N=CN)C(=O)O
CACTVS 3.385NC=Nc1n(cnc1C(O)=O)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
ACDLabs 12.01c2(ncn(C1C(O)C(O)C(COP(O)(O)=O)O1)c2N=[C@H]N)C(O)=O
OpenEye OEToolkits 2.0.6c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C\N)C(=O)O
CACTVS 3.385NC=Nc1n(cnc1C(O)=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
FormulaC10 H15 N4 O9 P
Name5-[(Z)-(aminomethylidene)amino]-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain6mgr Chain B Residue 502 [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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PDB6mgr Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor Oxanosine Monophosphate
Resolution1.97 Å
Binding residue
(original residue number in PDB)		M48 G298 S299 I300 C301 D334 G336 G357 S358 Y381 G383 M384 G385 E411 G412
Binding residue
(residue number reindexed from 1)		M49 G188 S189 I190 C191 D224 G226 G247 S248 Y271 G273 M274 G275 E289 G290
Annotation score2
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 13:28:32 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 = '6mgr', asym_id = 'B', bs = 'BS01', title = 'Crystal Structure of the Catalytic Domain of the...e complex with inhibitor Oxanosine Monophosphate '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6mgr', asym_id='B', bs='BS01', title='Crystal Structure of the Catalytic Domain of the...e complex with inhibitor Oxanosine Monophosphate ')
   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 = '6mgr', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0003938,0006164,0016491', uniprot='', pdbid='6mgr', 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>