Structure of PDB 6pqc Chain A Binding Site BS01

Receptor Information
>6pqc Chain A (length=252) 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
SV
Ligand information
Ligand IDCEF
InChIInChI=1S/C14H15N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h3,5,7,12H,1,4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12-/m1/s1
InChIKeyNRYMPLKBKFIWQC-YVCCLBOHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CO\N=C(/C(=O)N[C@H](C=O)[C@H]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2
OpenEye OEToolkits 1.7.6CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O
OpenEye OEToolkits 1.7.6CON=C(c1csc(n1)N)C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O
CACTVS 3.385CON=C(C(=O)N[CH](C=O)[CH]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2
FormulaC14 H15 N5 O5 S2
NameCEFOTAXIME, C3' cleaved, open, bound form
ChEMBL
DrugBankDB08375
ZINCZINC000015605562
PDB chain6pqc 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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PDB6pqc The crystal structures of CDD-1, the intrinsic class D beta-lactamase from the pathogenic Gram-positive bacterium Clostridioides difficile, and its complex with cefotaxime.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S102 S150 K192 T252 G253 T254
Binding residue
(residue number reindexed from 1)		S44 S92 K134 T194 G195 T196
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 09:04:39 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 = '6pqc', asym_id = 'A', bs = 'BS01', title = 'The crystal structures of CDD-1, the intrinsic c...ides difficile, and its complex with cefotaxime. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6pqc', asym_id='A', bs='BS01', title='The crystal structures of CDD-1, the intrinsic c...ides difficile, and its complex with cefotaxime. ')
   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 = '6pqc', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008658,0008800,0017001', uniprot='', pdbid='6pqc', 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>