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Structure of PDB 6fj1 Chain A Binding Site BS01

Receptor Information >6fj1 Chain A (length=253) Species: 1352 (Enterococcus faecium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] GLKEQLASMNAIANVKATYSINGETFQIPSSDIMSWLTYNDGKVDLDTEQ VRQYVTDLGTKYNTSTNDTKFKSTKRGEVTVPVGTYSWTIQTDSETEALK KAILAGQDFTRSPIVQGGTTADHPLIEDTYIEVDLENQHMWYYKDGKVAL ETDIVSGKPTTPTPAGVFYVWNKEEDATLKGTNGTPYESPVNYWMPIDWT GVGIHDSDWQPEYGGDLWKTRGSHGCINTPPSVMKELFGMVEKGTPVLVF GSH

Ligand information Ligand ID NXL InChI InChI=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 InChIKey WJDGWXPPFHLLNL-RITPCOANSA-N SMILES Software SMILES ACDLabs 12.01 O=CN1C(C(N)=O)CCC(C1)NOS(=O)(O)=O OpenEye OEToolkits 1.7.6 C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)N CACTVS 3.385 NC(=O)[CH]1CC[CH](CN1C=O)NO[S](O)(=O)=O OpenEye OEToolkits 1.7.6 C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N CACTVS 3.385 NC(=O)[C@@H]1CC[C@H](CN1C=O)NO[S](O)(=O)=O Formula C7 H13 N3 O6 S Name (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide; avibactam, bound form; NXL104, bound form ChEMBL DrugBank ZINC ZINC000098209247 PDB chain 6fj1 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 6fj1 Synthesis of Avibactam Derivatives and Activity on beta-Lactamases and Peptidoglycan Biosynthesis Enzymes of Mycobacteria. Resolution 2.69 Å Binding residue (original residue number in PDB) L395 K396 Y403 S405 H421 W425 S439 H440 G441 C442 Binding residue (residue number reindexed from 1) L179 K180 Y187 S189 H205 W209 S223 H224 G225 C226 Annotation score 1

Gene Ontology --> -->

UnboundLocalError

Python 3.6.8: /usr/bin/python3 Thu May 22 05:02:12 2025

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>()

1701     title=pdb2title(pdbid)

1702     if bs.startswith("BS"):

=> 1703         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)

1704     else:

1705         if lig3:

pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '6fj1', asym_id = 'A', bs = 'BS01', title = 'Synthesis of Avibactam Derivatives and Activity ...ptidoglycan Biosynthesis Enzymes of Mycobacteria.'

/var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6fj1', asym_id='A', bs='BS01', title='Synthesis of Avibactam Derivatives and Activity ...ptidoglycan Biosynthesis Enzymes of Mycobacteria.')

1326         display_ec(ec,csaOrig,csaRenu)

1327     if go:

=> 1328         display_go(go,uniprot,pdbid,asym_id)

1329     return pubmed,uniprot

1330

global display_go = <function display_go>, go = '0016740', uniprot = '', pdbid = '6fj1', asym_id = 'A'

/var/www/html/BioLiP/pdb.cgi in display_go(go='0016740', uniprot='', pdbid='6fj1', asym_id='A')

484         '''.replace("$namespace_link",namespace_link

485           ).replace("$namespace",namespace

=>  486           ).replace("$uniprot",u

487         ))

488         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>