Structure of PDB 8gfs Chain A Binding Site BS01

Receptor Information
>8gfs 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 ID3XR
InChIInChI=1S/C8H14N2O5/c1-3(11)10-7-6(13)5(12)4(2-9-7)8(14)15/h4-7,9,12-13H,2H2,1H3,(H,10,11)(H,14,15)/p+1/t4-,5-,6-,7+/m0/s1
InChIKeyDQTKLICLJUKNCG-ZTYPAOSTSA-O
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)N[C@H]1[NH2+]C[C@@H]([C@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 1.9.2CC(=O)N[C@@H]1[C@H]([C@H]([C@H](C[NH2+]1)C(=O)O)O)O
CACTVS 3.385CC(=O)N[CH]1[NH2+]C[CH]([CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.9.2CC(=O)NC1C(C(C(C[NH2+]1)C(=O)O)O)O
ACDLabs 12.01O=C(NC1[NH2+]CC(C(=O)O)C(O)C1O)C
FormulaC8 H15 N2 O5
Name(2S,3R,4S,5S)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium
ChEMBL
DrugBank
ZINC
PDB chain8gfs 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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PDB8gfs Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Resolution2.38 Å
Binding residue
(original residue number in PDB)		S401 Q408 F409 M410 L413 H445 Y463
Binding residue
(residue number reindexed from 1)		S382 Q389 F390 M391 L394 H426 Y444
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 17 00:07:07 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 = '8gfs', 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='8gfs', 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 = '8gfs', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000270,0008933,0016020', uniprot='', pdbid='8gfs', 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>