Table 2 Dihedral angles of β-lactamase residues 103–106

From: An active site loop toggles between conformations to control antibiotic hydrolysis and inhibition potency for CTX-M β-lactamase drug-resistance enzymes

 

dihedral angles(°)

 

β-lactamase

omega

phi

psi

Cα1-Cα4 distance (Å)

CTX-M-14 V103

166.9

−110.8

−139.7

6.71

CTX-M-14 N104

193.1

−90.0

−13.4

CTX-M-14 Y105

184.3

−156.3

99.4

CTX-M-14 N106

191.9

−131.8

55.1

CTX-M-15 V103

177.7

−125.4

−140.8

6.59

CTX-M-15 N104

187.5

−88.4

−14.9

CTX-M-15 Y105

186.7

−156.2

102.0

CTX-M-15 N106

194.6

−133.2

47.7

CTX-M-15 V103/BLIP

171.9

−134.0

169.3

6.62

CTX-M-15 N104/BLIP

179.4

−64.1

157.5

CTX-M-15 Y105/BLIP

185.2

64.3

62.9

CTX-M-15 N106/BLIP

180.4

−123.6

49.6

TEM-1 V103

174.2

−113.0

174.7

6.49

TEM-1 E104

181.4

−53.5

143.1

TEM-1 Y105

179.6

58.7

73.0

TEM-1 S106

176.9

−129.9

60.8

TEM-1 V103/BLIP

177.2

−131.8

167.8

6.43

TEM-1 E104/BLIP

177.8

−47.7

139.2

TEM-1 Y105/BLIP

180.2

67.2

64.2

TEM-1 S106/BLIP

180.0

−131.7

57.9

CTX-M-14 N106S- V103

176.5

−105.0

113.9

6.34

CTX-M-14 N106S- N104

187.2

−56.7

140.3

CTX-M-14 N106S- Y105

178.4

58.7

65.8

CTX-M-14 N106S- S106

177.1

−36.0

66.6