Structure of PDB 3p3g Chain A Binding Site BS03

Receptor Information
>3p3g Chain A (length=300) Species: 714962 (Escherichia coli IHE3034) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKQRTLKRIVQATGVGLHTGKKVTLTLRPAPANTGVIYRRTDLNPPVDF
PADAKSVRDTMLCTCLVNEHDVRISTVEHLNAALAGLGIDNIVIEVNAPE
IPIMDGSAAPFVYLLLDAGIDELNCAKKFVRIKETVRVEDGDKWAEFKPY
NGFSLDFTIDFNHPAIDSSNQRYAMNFSADAFMRQISRARTFGFMRDIEY
LQSRGLCLGGSFDCAIVVDDYRVLNEDGLRFEDEFVRHKMLDAIGDLFMC
GHNIIGAFTAYKSGHALNNKLLQAVLAKQEAWEYVTFQDDAELPLAFKAP
Ligand information
Ligand IDUKW
InChIInChI=1S/C13H12N2O4/c1-3-9-4-6-10(7-5-9)12(17)14-11(8(2)16)13(18)15-19/h1,4-8,11,16H,2H3,(H,14,17)/t8-,11+/m1/s1
InChIKeyJJXZDQZGPLQGCP-KCJUWKMLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O
CACTVS 3.370C[CH](O)[CH](NC(=O)c1ccc(cc1)C#C)C(=O)N=O
ACDLabs 12.01O=C(NC(C(=O)N=O)C(O)C)c1ccc(C#C)cc1
OpenEye OEToolkits 1.7.0CC(C(C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O
CACTVS 3.370C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#C)C(=O)N=O
FormulaC13 H12 N2 O4
Name4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide
ChEMBL
DrugBank
ZINCZINC000058649341
PDB chain3p3g Chain A Residue 801 [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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PDB3p3g Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		M61 F194 D197 Y200 L201
Binding residue
(residue number reindexed from 1)		M61 F194 D197 Y200 L201
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 01:54:10 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 = '3p3g', asym_id = 'A', bs = 'BS03', title = 'Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3p3g', asym_id='A', bs='BS03', title='Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.')
   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 = '0008759,0009245', uniprot = '', pdbid = '3p3g', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008759,0009245', uniprot='', pdbid='3p3g', 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>