Structure of PDB 7keq Chain A Binding Site BS02

Receptor Information
>7keq Chain A (length=251) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVNIVDYSDCFEGISGGAIFCNTKNKEYNIYNKELIETRRSPCSTFKIVS
TLIGLEKGVINSKESVMGYDGTDYPNKNWNKNLSLEEAFKESCVWYYKKL
INKVDAKSVQNILDDLKYGNCDISEWEGDLKNGKGHLNGFWLESSLQISP
KEQVQTMAKIFEGDTNFKKEHINILRDIMAIDVNDANINVYGKTGTGFDE
KNKRVDAWFVGMLEREGDTYYFAIKSDDSNKEITGPKVKEIAINIIKKYY
S
Ligand information
Ligand IDFYG
InChIInChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1
InChIKeyNDCUAPJVLWFHHB-UHNVWZDZSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(N)(C1CCC2CN1C(N2OS(=O)(O)=O)=O)=O
OpenEye OEToolkits 2.0.6C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)N
OpenEye OEToolkits 2.0.6C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N
CACTVS 3.385NC(=O)[CH]1CC[CH]2C[N]1C(=O)N2O[S](O)(=O)=O
CACTVS 3.385NC(=O)[C@@H]1CC[C@@H]2C[N@]1C(=O)N2O[S](O)(=O)=O
FormulaC7 H11 N3 O6 S
Name(2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;
Avibactam
ChEMBLCHEMBL1689063
DrugBankDB09060
ZINCZINC000009302239
PDB chain7keq Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7keq Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D240 V241 N242 I301 K305
Binding residue
(residue number reindexed from 1)		D182 V183 N184 I243 K247
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 10:15:11 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 = '7keq', asym_id = 'A', bs = 'BS02', title = 'Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7keq', asym_id='A', bs='BS02', title='Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.')
   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 = '0008658,0008800,0017001', uniprot = '', pdbid = '7keq', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008658,0008800,0017001', uniprot='', pdbid='7keq', 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>