Structure of PDB 7lnq Chain A Binding Site BS01

Receptor Information
>7lnq 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 IDNXL
InChIInChI=1S/C7H13N3O6S/c8-7(12)6-2-1-5(3-10(6)4-11)9-16-17(13,14)15/h4-6,9H,1-3H2,(H2,8,12)(H,13,14,15)/t5-,6+/m1/s1
InChIKeyWJDGWXPPFHLLNL-RITPCOANSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=CN1C(C(N)=O)CCC(C1)NOS(=O)(O)=O
OpenEye OEToolkits 1.7.6C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)N
CACTVS 3.385NC(=O)[CH]1CC[CH](CN1C=O)NO[S](O)(=O)=O
OpenEye OEToolkits 1.7.6C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N
CACTVS 3.385NC(=O)[C@@H]1CC[C@H](CN1C=O)NO[S](O)(=O)=O
FormulaC7 H13 N3 O6 S
Name(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide;
avibactam, bound form;
NXL104, bound form
ChEMBL
DrugBank
ZINCZINC000098209247
PDB chain7lnq Chain A Residue 401 [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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PDB7lnq In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		S102 S150 T252 G253 T254
Binding residue
(residue number reindexed from 1)		S44 S92 T194 G195 T196
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 11:38:37 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 = '7lnq', asym_id = 'A', bs = 'BS01', title = 'In Crystallo Time-Resolved Interaction of the Cl... Catalytic Mechanism of Class D beta-lactamases. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7lnq', asym_id='A', bs='BS01', title='In Crystallo Time-Resolved Interaction of the Cl... Catalytic Mechanism of Class D beta-lactamases. ')
   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 = '7lnq', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008658,0008800,0017001', uniprot='', pdbid='7lnq', 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>