Table 4.

Selected Distances in TEM-76 (S130G), TEM-32 (M69I/M182T), and WT*

	distance (Å)
	TEM-76	TEM-32	WT* a
catalytic waterb–Ser70 Oγ	2.6	2.8	2.8
catalytic water–Glu166 Oε2	2.3	2.5	2.7
catalytic water–Asn170 Nδ	3.2	2.7	2.6
oxyanion hole waterc–Ser70 Oγ	2.8	3.0	2.7
oxyanion hole water–Ser70 N	3.0	2.9	2.8
oxyanion hole water–Ala237 N	2.9	3.2	3.1
oxyanion hole water–Ala237 O	2.7	2.6	2.8
C3 waterd–Arg244 NH2	2.7	2.9	2.8
C3 water–Ser235 Oγ	3.7	3.1	2.8
Ser70 Oγ–Lys73 Nζ	3.4	3.1	2.8
Ser70 Oγ–Ser130 Oγ	NPe	5.5	3.2
Ser130 Oγ–Lys73 Nζ	NP	5.4	3.8
Ser130 Oγ–Lys234 Nζ	NP	3.3	2.8
active site waterf–Ser70 Oγ	2.9	2.7 (first)g 3.2 (second)	NP
active site water–Lys73 Nζ	2.8	2.9	NP
active site water–Lys234 Nζ	3.0	2.9	NP
active site water–Lys234 Nζ(B)	2.9	NP	NP
active site water(B)–Ser70 Oγ	3.1	NP	NP
active site water(B)–Lys73 Nζ	3.8	NP	NP
active site water(B)–Lys234 Nζ	3.7	NP	NP
active site water(B)–Lys234 Nζ(B)	4.0	NP	NP
Lys73 Nζ–Asn132 Oδ1	3.0	3.0	3.0

^aPDB entry 1JWP.

^bThe catalytic water is numbered Wat1561 in TEM-76, Wat6 in TEM-32, and Wat57 in WT*.

^cThe oxyanion hole water is numbered Wat1012 in TEM-76, Wat5 in TEM-32, and Wat196 in WT*.

^dThis water, expected to interact with the C3 carboxylate of β-lactams, is numbered Wat1614 in TEM-76, Wat7 in TEM-32, and Wat99A in WT*.

^eNot present.

^fThe active site water is numbered Wat1023A/Wat1023B in TEM-76 and Wat85 in TEM-32.

^gMeasured from the alternate conformations of Ser70 seen in TEM-32.