Structure of PDB 8gfg Chain A Binding Site BS01

Receptor Information

>8gfg Chain A (length=514) Species: 197 (Campylobacter jejuni)

YSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSE
LEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSK
DRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKK
YDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSED
SAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEE
DLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQ
KINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYY
DNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGE
KELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGF
TNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLND
SIKISDIFENLIQN

Ligand information

• Ligand ID: ZHL
• InChI: InChI=1S/C16H23NO8/c1-5(19)17-10-12(21)11(20)9(4-18)23-16(10)25-13-6-2-7-8(3-6)15(22)24-14(7)13/h6-14,16,18,20-21H,2-4H2,1H3,(H,17,19)/t6-,7+,8-,9+,10+,11+,12+,13-,14-,16-/m0/s1
• InChIKey: AZLZNNDRSGSYAX-NWESXJQGSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC(=O)NC1C(C(C(OC1OC2C3CC4C2OC(=O)C4C3)CO)O)O
  ACDLabs 12.01: CC(=O)NC1C(O)C(O)C(CO)OC1OC1C2OC(=O)C3CC1CC23
  CACTVS 3.385: CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH]3C[CH]4[CH](C3)C(=O)O[CH]24
  OpenEye OEToolkits 2.0.7: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]3C[C@H]4[C@@H]2OC(=O)[C@H]4C3)CO)O)O
  CACTVS 3.385: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]2[C@H]3C[C@@H]4[C@H](C3)C(=O)O[C@H]24
• Formula: C16 H23 N O8
• Name: (3S,3aR,5S,6S,6aS)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside
• PDB chain: 8gfg Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8gfg Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
• Resolution: 2.48 Å
• Binding residue (original residue number in PDB): Q389 E390 R392 S399 Q408 Y502
• Binding residue (residue number reindexed from 1): Q370 E371 R373 S380 Q389 Y483
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sat Nov 16 23:56:08 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 = '8gfg', 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='8gfg', 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 = '8gfg', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000270,0008933,0016020', uniprot='', pdbid='8gfg', 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>