Structure of PDB 6ayh Chain A Binding Site BS01

Receptor Information
>6ayh Chain A (length=192) Species: 28901 (Salmonella enterica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKLTEPLPTRMRILRAARQCFAENGFHSTSMKTICKASDMSPGTLYHHFP
SKEALIEAIILEDQERALTHFREPLEGVGLVDYLVESTIAVTREDYAQRA
LVVEIMAEGMRNPQVAEMLTNKYHTIIASLVARFNDAQAKGEIGADVDKE
MAARLLLATTYGVLSDSSSAENARHVSFATTLRTMLTGLLKC
Ligand information
Ligand IDC3G
InChIInChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
InChIKeyQSUILVWOWLUOEU-GOVZDWNOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)O)O)O)O
CACTVS 3.385O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)Oc2ccc(cc2)[N+]([O-])=O
OpenEye OEToolkits 2.0.6c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2ccc(cc2)[N+]([O-])=O
ACDLabs 12.01C(=O)(O)C1C(C(C(C(O1)Oc2ccc([N+](=O)[O-])cc2)O)O)O
FormulaC12 H13 N O9
Name4-nitrophenyl beta-D-glucopyranosiduronic acid;
4-nitrophenyl beta-D-glucosiduronic acid;
4-nitrophenyl D-glucosiduronic acid;
4-nitrophenyl glucosiduronic acid
ChEMBLCHEMBL495244
DrugBank
ZINCZINC000004027679
PDB chain6ayh Chain A Residue 302 [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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PDB6ayh Structural basis for the regulation of beta-glucuronidase expression by human gut Enterobacteriaceae.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		R71 A72 H75 F76 E99 K127 L161 T165 Y166
Binding residue
(residue number reindexed from 1)		R66 A67 H70 F71 E94 K122 L156 T160 Y161
Annotation score1
Binding affinityMOAD: Kd=2.7uM
PDBbind-CN: -logKd/Ki=5.57,Kd=2.7uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 14:56:27 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 = '6ayh', asym_id = 'A', bs = 'BS01', title = 'Structural basis for the regulation of beta-gluc...idase expression by human gut Enterobacteriaceae.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6ayh', asym_id='A', bs='BS01', title='Structural basis for the regulation of beta-gluc...idase expression by human gut Enterobacteriaceae.')
   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 = '0003677', uniprot = '', pdbid = '6ayh', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003677', uniprot='', pdbid='6ayh', asym_id='A')
    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>