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. Author manuscript; available in PMC: 2013 Jan 18.
Published in final edited form as: J Am Chem Soc. 2011 Dec 29;134(2):999–1009. doi: 10.1021/ja207173p

Table 3(a).

Protein components differentiating the Esq/hq value for XDH/XO in mV. Protein components that increase/decrease the Esq/hq difference by ≥ 20 mV are listed. For clarity, other residues are omitted from the table. For further information (side chain/backbone contributions), see Table S4 in Supporting Information.

Esq/hq(XDH) Esq/hq(XO) Difference a location
increasing the Esq/hq Difference between XDH and XO
Lys433 40 152 −112 loop b
Glu263 −177 −104 −73
Asp429 −137 −66 −71 loop b
Asp430 −108 −46 −62 loop b
Asp360 −236 −190 −46
Arg426 88 125 −37 loop b
Asn71 −14 15 −29
Glu267 −32 −10 −22
FeS-IIc −151 −129 −22
Gln144 −14 7 −21
decreasing the Esq/hq Difference between XDH and XO
Lys422 261 155 106 loop b
P (proximal)d 14 −81 95
Lys1228 127 80 47
Lys271 53 22 31
Lys343 90 67 23
Ala338 30 10 20
a

Esq/hq(XDH) − Esq/hq(XO). A negative value here indicates an increased difference between Esq/hq in the two enzymes, while a positive value indicates a decreased difference.

b

The loop region (Gln423–Lys433) close to the flavin ring 5.

c

The iron-sulfur cluster proximal to the flavin ring.

d

A phosphate titratable site of the FAD diphosphate region proximal to the flavin ring.