Index	PDB ID	Protein Name	Organism	UniProt ID	Ligand Name	Canonical SMILES	HET Code
1	4EBP	Beta-lactamase	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	P9WKD3	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
2	3SH9	Beta-lactamase	Bacillus licheniformis	P00808	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
3	6PQI	Beta-lactamase	Klebsiella pneumoniae	Q6XEC0	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
4	3IXH	Beta-lactamase	Escherichia coli (strain K12)	P00811	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
5	4KG5	Beta-lactamase	Escherichia coli (strain K12)	P00811	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
6	6K9T	Beta-lactamase	Klebsiella pneumoniae	Q9XB24	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
7	6PQC	Beta-lactamase	Clostridioides difficile (Peptoclostridium difficile)	A0A160YKM3	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
8	4KG2	Beta-lactamase	Escherichia coli (strain K12)	P00811	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
9	1RGY	Beta-lactamase	Citrobacter freundii	P05193	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	PTX
10	1RGZ	Beta-lactamase	Enterobacter cloacae	P05364	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	PTX
11	5A93	Beta-lactamase CTX-M-97	Escherichia coli	E1ANH6	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
12	5A92	Beta-lactamase CTX-M-97	Escherichia coli	E1ANH6	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
13	2ZQA	Beta-lactamase Toho-1	Escherichia coli	Q47066	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
14	1IYO	Beta-lactamase Toho-1	Escherichia coli	Q47066	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
15	1CEF	D-alanyl-D-alanine carboxypeptidase	Streptomyces sp. (strain R61)	P15555	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
16	5ZQD	Lmo2812 protein	Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)	Q8Y3M3	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
17	5WI3	OXA-239	Acinetobacter sp. enrichment culture clone 8407	I6YCI1	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
18	3VSL	Penicillin-binding protein 3	Staphylococcus aureus (strain MW2)	A0A0H3K0B9	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
19	3UPP	Penicillin-binding protein A	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	P9WKD1	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
20	6VBD	Probable peptidoglycan D,D-transpeptidase PenA	Neisseria gonorrhoeae	F2Z7K9	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF
21	6P54	Probable peptidoglycan D,D-transpeptidase PenA	Neisseria gonorrhoeae	P08149	cefotaxime	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	CEF