Structure of PDB 8gfd Chain A Binding Site BS01

Receptor Information
>8gfd Chain A (length=512) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSE
LEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSK
DRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKK
YDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSED
SAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEE
DLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQ
KINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYY
DNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGE
KELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGF
TNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLND
SIKISDIFENLI
Ligand information
Ligand IDZHR
InChIInChI=1S/C18H23NO7/c1-10(21)19-15-17(23)16(22)14(9-20)26-18(15)25-6-4-11-2-3-13-12(8-11)5-7-24-13/h2-3,5,7-8,14-18,20,22-23H,4,6,9H2,1H3,(H,19,21)/t14-,15-,16-,17-,18-/m1/s1
InChIKeyJHBAVCSLSALDCZ-DUQPFJRNSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CC(=O)NC1C(O)C(O)C(CO)OC1OCCc1ccc2occc2c1
OpenEye OEToolkits 2.0.7CC(=O)NC1C(C(C(OC1OCCc2ccc3c(c2)cco3)CO)O)O
OpenEye OEToolkits 2.0.7CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCc2ccc3c(c2)cco3)CO)O)O
CACTVS 3.385CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCc2ccc3occc3c2
CACTVS 3.385CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCCc2ccc3occc3c2
FormulaC18 H23 N O7
Name2-(1-benzofuran-5-yl)ethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
ChEMBL
DrugBank
ZINC
PDB chain8gfd Chain A Residue 601 [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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PDB8gfd Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		Q389 E390 S391 S399 Q408 Y502
Binding residue
(residue number reindexed from 1)		Q370 E371 S372 S380 Q389 Y483
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 23:47:18 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 = '8gfd', asym_id = 'A', bs = 'BS01', title = 'Exploring the inhibition of the soluble lytic tr...geting different sites with different scaffolds. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8gfd', asym_id='A', bs='BS01', title='Exploring the inhibition of the soluble lytic tr...geting different sites with different scaffolds. ')
   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 = '0000270,0008933,0016020', uniprot = '', pdbid = '8gfd', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000270,0008933,0016020', uniprot='', pdbid='8gfd', 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>