Structure of PDB 8gf0 Chain A Binding Site BS01

Receptor Information
>8gf0 Chain A (length=513) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKS
ELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNS
KDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSK
KYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSE
DSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNE
EDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAW
QKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPY
YDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIG
EKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIG
FTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLN
DSIKISDIFENLI
Ligand information
Ligand IDUM9
InChIInChI=1S/C14H25NO7/c1-7(17)14(3,4)6-21-13-10(15-8(2)18)12(20)11(19)9(5-16)22-13/h9-13,16,19-20H,5-6H2,1-4H3,(H,15,18)/t9-,10-,11-,12-,13-/m1/s1
InChIKeyUAKFZHMRCJMULU-SYLRKERUSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC(C)(C)C(C)=O
OpenEye OEToolkits 2.0.7CC(=O)C(C)(C)COC1C(C(C(C(O1)CO)O)O)NC(=O)C
OpenEye OEToolkits 2.0.7CC(=O)C(C)(C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C
CACTVS 3.385CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC(C)(C)C(C)=O
ACDLabs 12.01CC(=O)C(C)(C)COC1OC(CO)C(O)C(O)C1NC(C)=O
FormulaC14 H25 N O7
Name2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
ChEMBL
DrugBank
ZINC
PDB chain8gf0 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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PDB8gf0 Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		Q389 E390 S391 S399 Q408 Y502
Binding residue
(residue number reindexed from 1)		Q371 E372 S373 S381 Q390 Y484
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 22:56:05 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 = '8gf0', 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='8gf0', 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 = '8gf0', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000270,0008933,0016020', uniprot='', pdbid='8gf0', 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>