(a).

10-FDDF at the active site of wild-type zNt-FDH (PDB entry 4tt8) and the Y200A mutant (PDB entry 4tts).

		Wild type		Y200A mutant
Substrate	Atom	P. atom	D ()	P. atom	D ()
10-FDDF	NA2	Ile90OH	3.01	Ile90OH	3.27
		Asp138OH	3.56	Asp138OH	3.20
	N3	Gly140OH	3.42	Asp138OH	3.14
				Gly140OH	3.23
	O4	Gly140OH	3.19	Gly140OH	3.13
		Asp142NH	3.05	Asp142NH	2.78
				Asp142OD1	3.59
		Water 6	3.17	Water 1	3.00
	OA1	His106ND1	2.68	Asp142OD2	2.74
		Asp142OD1	2.86	Water 84	3.54
		Asp142OD2	2.92
	N	Ser87OH	2.88	Ser87OH	2.83
	O1			Ser87OH	2.81
	OE1	Arg60NE	3.48	Water 162	2.53
	OE2			Arg58NE	3.20
				Arg58NH2	2.09
				Arg60NH2	3.58
				Water 162	3.39