TABLE 2.

Zinc coordination distances

Zn atom	Atom or molecule	Zn distancea (Å) for:
		Native BJP-1, subunit:		NBSA-BJP-1 complex, subunit:
		A	B	A	B
Zn1	His-116 Nɛ	2.06	2.08	2.03	2.04
	His-118 Nδ	2.08	2.11	2.06	2.05
	His-196 Nɛ	2.03	1.97	2.04	2.06
	OHbr	1.94	1.98
	N NBSAb			1.83	1.94
	O NBSA			2.86	2.87
	Water	3.25	3.22	3.14	3.38
	Zn2	3.45	3.43	3.42	3.44
Zn2	Asp-120 Oδ2	2.06	2.09	2.02	2.01
	His-121 Nɛ	2.07	2.08	2.04	2.05
	His-263 Nɛ	2.05	2.09	2.04	2.05
	OHbr	2.06	1.96
	N NBSA			1.92	1.86
	O NBSA			3.28	3.24
	Water	2.53	2.45	2.78	3.05
Zn3	Glu-176 Oɛ2	2.00	1.96	2.04	2.03
	His-190 Nδ	2.06	2.10	2.02	2.02
	Lys-250 Nζ	1.98	2.00	2.00	1.97
	Lys-321 O (symmetrical)	1.99	2.03	2.06	2.01

^aEstimated SD on distances were below 0.06 and 0.04 Å for the native and complex structures, respectively. τ = (β − α)/60, where α and β are the basal diagonal angles at Zn with β > α(1); (β = Asp-120 Oδ1-Zn-Water angle; α = His-263 Nɛ-Zn-OH_br angle, in this case). τ for subunit A = 0.29; τ for subunit B = 0.30.

^bThe N atom of NBSA replaces the OH_br atom in the NBSA-BJP-1 complex bridging the two Zn ions.