Table 6 Interaction of active site residues in wild-type and alanine mutated complexes.

From: Alanine mutation of the catalytic sites of Pantothenate Synthetase causes distinct conformational changes in the ATP binding region

Interactions

Wild-type

H44A

H47A

N69A

Q72A

K160A

Q164A

44–47

H. bond, VDW

H. bond, VDW

H. bond, VDW

H. bond, VDW

H. bond, VDW

H. bond, VDW

H. bond, VDW

44–48

H. bond

H. bond, VDW

H. bond,

H. bond, VDW

H. bond, VDW

H. bond,

H. bond,

44–195

VDW

VDW

VDW

VDW

VDW

44–196

VDW

VDW

44–197

H. bond

VDW

VDW

47–50

H. bond

H. bond

H. bond

H. bond

H. bond

H. bond

47–197

VDW

69–139

VDW

72–114

VDW

72–117

VDW

72–134

VDW

VDW

72–135

VDW

VDW

VDW

H. bond

72–139

VDW

VDW

160–186

VDW

VDW

160–196

H. bond

H. bond

H. bond

H. bond

H. bond

160–194

VDW

160–195

H. bond

H. bond

H. bond

H. bond

H. bond

160–198

VDW

160–282

H. bond

H. bond

164–157

VDW

164–167

VDW

H. bond

H. bond

H. bond

164–168

H. bond

H. bond, VDW

H. bond, VDW

H. bond

H. bond, VDW

H. bond

  1. *“VDW”: Van der Waals, “—”: not present.