Table 2.

TEM β-lactamase structures, druggability scores, mutations, and melting temperatures

PDB ID	DSa	Tb	Mutation (E. Coli)
4MEZ_B	0.032	M	(M68L, M69T)
4MEZ_A	0.037	M	(M68L, M69T)
4IBX_E	0.057	M	TEM v.13 (A42G, N52A, I84V, R120G, M182T, L201A, T265M), Tm = 69.0°C
1 ZG6_A	0.076	M	(S70G) Catalytic residue mutation expected to improve stability
3DTM_A	0.129	M	(P62S, V80I, E147G, M182T, L201P, A224V, I247V, R275R), Tm = 69.2 °C
1JWP_A	0.186	M	(M182T, V184A) Strong stabilization, M182T alone yields Tm = 63.2°C
1YT4_A	0.237	M	TEM-76 (S130G), Tm = 52.3 °C
1CK3_A	0.325	M	TEM-84 (N276D), Tm = 58.0 °C
1ZG4_A	0.390	U	None, WT TEM1 beta lactamase, Tm = 58.5 °C
4GKU_A	0.418	M	(I84V, V184A), V184A on its own yields Tm = 58.1 °C
3TOI_B	0.541	M	First 15 residues removed & (I56V, R120G, M182T, T195S, I208M, A224V, R241 H,T265M), Tm = 59.0 °C
1HTZ_E	0.571	M	TEM52 (E104K, M182T, G238S), Tm = 55.6 °C
1HTZ_C	0.599	M	TEM52 (E104K, M182T, G238S), Tm = 55.6 °C
1HTZ_B	0.612	M	TEM52 (E104K, M182T, G238S), Tm = 55.6 °C
4OQG_E	0.629	U	None, WT TEM-1 beta-lactamase: no ligand in chain E, Tm = 58.5 °C
1HTZ_A	0.640	M	TEM52 (E104K, M182T, G238S), Tm = 55.6 °C
1HTZ_D	0.640	M	TEM52 (E104K, M182T, G238S), Tm = 55.6 °C
3TOI_A	0.669	M	First 15 residues removed & (I56V, R120G, M182T, T195S, I208M, A224V, R241 H,T265M), Tm = 59.0 °C
1 LI9_A	0.698	M	TEM-34 (M69V), Tm almost identical to or greater than that of TEM-1
1LHY_A	0.718	M	TEM-30 (R244S), Destabilizing
3CMZ_A	0.849	M	(L201P), Tm = 53.4 °C

^aDruggability score.

^bType: M – mutant, U – unbound wild type protein.