Structure of PDB 4xoe Chain A Binding Site BS02

Receptor Information
>4xoe Chain A (length=279) Species: 362663 (Escherichia coli 536) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FACKTANGTAIPIGGGSANVYVNLAPAVNVGQNLVVDLSTQIFCHNDYPE
TITDYVTLQRGSAYGGVLSSFSGTVKYNGSSYPFPTTSETPRVVYNSRTD
KPWPVALYLTPVSSAGGVAIKAGSLIAVLILRQTNNYNSDDFQFVWNIYA
NNDVVVPTGGCDVSARDVTVTLPDYPGSVPIPLTVYCAKSQNLGYYLSGT
TADAGNSIFTNTASFSPAQGVGVQLTRNGTIIPANNTVSLGAVGTSAVSL
GLTANYARTGGQVTAGNVQSIIGVTFVYQ
Ligand information
Ligand IDKGM
InChIInChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12+,13+/m1/s1
InChIKeyNIDYWHLDTIVRJT-BNDIWNMDSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2CCCCCCCOC1C(C(C(C(O1)CO)O)O)O
ACDLabs 12.01O(CCCCCCC)C1OC(C(O)C(O)C1O)CO
CACTVS 3.385CCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.9.2CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
FormulaC13 H26 O6
Nameheptyl alpha-D-mannopyranoside;
Heptyl Alpha-D-mannopyrannoside;
heptyl alpha-D-mannoside;
heptyl D-mannoside;
heptyl mannoside
ChEMBLCHEMBL1170455
DrugBank
ZINCZINC000078456617
PDB chain4xoe Chain A Residue 301 [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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PDB4xoe Catch-bond mechanism of the bacterial adhesin FimH.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		F1 N46 Y48 T51 D54 Q133 N135 Y137 D140
Binding residue
(residue number reindexed from 1)		F1 N46 Y48 T51 D54 Q133 N135 Y137 D140
Annotation score1
Binding affinityMOAD: Kd=9.9uM
PDBbind-CN: -logKd/Ki=5.00,Kd=9.9uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 11:56:36 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 = '4xoe', asym_id = 'A', bs = 'BS02', title = 'Catch-bond mechanism of the bacterial adhesin FimH.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4xoe', asym_id='A', bs='BS02', title='Catch-bond mechanism of the bacterial adhesin FimH.')
   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 = '0007155,0009289', uniprot = '', pdbid = '4xoe', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0007155,0009289', uniprot='', pdbid='4xoe', 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>