eF-site ID 2y56-ABCDE
PDB Code 2y56
Chain A, B, C, D, E

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Title Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 3)
Classification RECEPTOR
Compound SOLUBLE ACETYLCHOLINE RECEPTOR
Source (Q8WSF8_APLCA)
Sequence A:  QANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVK
VDSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSA
ADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQR
LSFMCDPTGVDSEEGVTCAVKFGSWVYSGFEIDLKTDTDQ
VDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVV
KFRER
B:  QANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVK
VDSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSA
ADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQR
LSFMCDPTGVDSEEGVTCAVKFGSWVYSGFEIDLKTDTDQ
VDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVV
KFRER
C:  QANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVK
VDSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSA
ADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQR
LSFMCDPTGVDSEEGVTCAVKFGSWVYSGFEIDLKTDTDQ
VDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVV
KFRER
D:  QANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVK
VDSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSA
ADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQR
LSFMCDPTGVDSEEGVTCAVKFGSWVYSGFEIDLKTDTDQ
VDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVV
KFRER
E:  QANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVK
VDSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSA
ADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQR
LSFMCDPTGVDSEEGVTCAVKFGSWVYSGFEIDLKTDTDQ
VDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVV
KFRER
Description


Functional site

1) chain A
residue 89
type
sequence T
description BINDING SITE FOR RESIDUE V11 A 301
source : AC1

2) chain A
residue 91
type
sequence Y
description BINDING SITE FOR RESIDUE V11 A 301
source : AC1

3) chain A
residue 141
type
sequence K
description BINDING SITE FOR RESIDUE V11 A 301
source : AC1

4) chain A
residue 143
type
sequence G
description BINDING SITE FOR RESIDUE V11 A 301
source : AC1

5) chain A
residue 144
type
sequence S
description BINDING SITE FOR RESIDUE V11 A 301
source : AC1

6) chain A
residue 145
type
sequence W
description BINDING SITE FOR RESIDUE V11 A 301
source : AC1

7) chain A
residue 186
type
sequence Y
description BINDING SITE FOR RESIDUE V11 A 301
source : AC1

8) chain A
residue 188
type
sequence C
description BINDING SITE FOR RESIDUE V11 A 301
source : AC1

9) chain A
residue 189
type
sequence C
description BINDING SITE FOR RESIDUE V11 A 301
source : AC1

10) chain A
residue 193
type
sequence Y
description BINDING SITE FOR RESIDUE V11 A 301
source : AC1

11) chain B
residue 53
type
sequence Y
description BINDING SITE FOR RESIDUE V11 A 301
source : AC1

12) chain B
residue 55
type
sequence Q
description BINDING SITE FOR RESIDUE V11 A 301
source : AC1

13) chain B
residue 116
type
sequence I
description BINDING SITE FOR RESIDUE V11 A 301
source : AC1

14) chain A
residue 40
type
sequence K
description BINDING SITE FOR RESIDUE CL A 501
source : AC2

15) chain E
residue 95
type
sequence R
description BINDING SITE FOR RESIDUE CL A 501
source : AC2

16) chain B
residue 116
type
sequence I
description BINDING SITE FOR RESIDUE CL A 502
source : AC3

17) chain A
residue 141
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 601
source : AC4

18) chain A
residue 182
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 A 601
source : AC4

19) chain A
residue 184
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 A 601
source : AC4

20) chain A
residue 1
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 A 602
source : AC5

21) chain A
residue 2
type
sequence A
description BINDING SITE FOR RESIDUE SO4 A 602
source : AC5

22) chain A
residue 3
type
sequence N
description BINDING SITE FOR RESIDUE SO4 A 602
source : AC5

23) chain A
residue 158
type
sequence T
description BINDING SITE FOR RESIDUE GOL A 701
source : AC6

24) chain A
residue 159
type
sequence D
description BINDING SITE FOR RESIDUE GOL A 701
source : AC6

25) chain A
residue 205
type
sequence R
description BINDING SITE FOR RESIDUE GOL A 702
source : AC7

26) chain B
residue 89
type
sequence T
description BINDING SITE FOR RESIDUE V11 B 301
source : AC8

27) chain B
residue 91
type
sequence Y
description BINDING SITE FOR RESIDUE V11 B 301
source : AC8

28) chain B
residue 143
type
sequence G
description BINDING SITE FOR RESIDUE V11 B 301
source : AC8

29) chain B
residue 144
type
sequence S
description BINDING SITE FOR RESIDUE V11 B 301
source : AC8

30) chain B
residue 145
type
sequence W
description BINDING SITE FOR RESIDUE V11 B 301
source : AC8

31) chain B
residue 186
type
sequence Y
description BINDING SITE FOR RESIDUE V11 B 301
source : AC8

32) chain B
residue 188
type
sequence C
description BINDING SITE FOR RESIDUE V11 B 301
source : AC8

33) chain B
residue 189
type
sequence C
description BINDING SITE FOR RESIDUE V11 B 301
source : AC8

34) chain B
residue 193
type
sequence Y
description BINDING SITE FOR RESIDUE V11 B 301
source : AC8

35) chain C
residue 55
type
sequence Q
description BINDING SITE FOR RESIDUE V11 B 301
source : AC8

36) chain C
residue 116
type
sequence I
description BINDING SITE FOR RESIDUE V11 B 301
source : AC8

37) chain B
residue 40
type
sequence K
description BINDING SITE FOR RESIDUE CL B 501
source : AC9

38) chain C
residue 116
type
sequence I
description BINDING SITE FOR RESIDUE CL B 502
source : BC1

39) chain B
residue 147
type
sequence Y
description BINDING SITE FOR RESIDUE CL B 503
source : BC2

40) chain A
residue 126
type
sequence D
description BINDING SITE FOR RESIDUE SO4 B 601
source : BC3

41) chain B
residue 167
type
sequence Y
description BINDING SITE FOR RESIDUE SO4 B 601
source : BC3

42) chain B
residue 169
type
sequence S
description BINDING SITE FOR RESIDUE SO4 B 601
source : BC3

43) chain B
residue 1
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 B 602
source : BC4

44) chain B
residue 2
type
sequence A
description BINDING SITE FOR RESIDUE SO4 B 602
source : BC4

45) chain B
residue 3
type
sequence N
description BINDING SITE FOR RESIDUE SO4 B 602
source : BC4

46) chain B
residue 186
type
sequence Y
description BINDING SITE FOR RESIDUE GOL B 701
source : BC5

47) chain B
residue 187
type
sequence S
description BINDING SITE FOR RESIDUE GOL B 701
source : BC5

48) chain B
residue 188
type
sequence C
description BINDING SITE FOR RESIDUE GOL B 701
source : BC5

49) chain C
residue 162
type
sequence D
description BINDING SITE FOR RESIDUE GOL B 701
source : BC5

50) chain C
residue 164
type
sequence S
description BINDING SITE FOR RESIDUE GOL B 701
source : BC5

51) chain C
residue 165
type
sequence S
description BINDING SITE FOR RESIDUE GOL B 701
source : BC5

52) chain C
residue 89
type
sequence T
description BINDING SITE FOR RESIDUE V11 C 301
source : BC6

53) chain C
residue 91
type
sequence Y
description BINDING SITE FOR RESIDUE V11 C 301
source : BC6

54) chain C
residue 141
type
sequence K
description BINDING SITE FOR RESIDUE V11 C 301
source : BC6

55) chain C
residue 143
type
sequence G
description BINDING SITE FOR RESIDUE V11 C 301
source : BC6

56) chain C
residue 144
type
sequence S
description BINDING SITE FOR RESIDUE V11 C 301
source : BC6

57) chain C
residue 145
type
sequence W
description BINDING SITE FOR RESIDUE V11 C 301
source : BC6

58) chain C
residue 186
type
sequence Y
description BINDING SITE FOR RESIDUE V11 C 301
source : BC6

59) chain C
residue 188
type
sequence C
description BINDING SITE FOR RESIDUE V11 C 301
source : BC6

60) chain C
residue 189
type
sequence C
description BINDING SITE FOR RESIDUE V11 C 301
source : BC6

61) chain C
residue 193
type
sequence Y
description BINDING SITE FOR RESIDUE V11 C 301
source : BC6

62) chain D
residue 116
type
sequence I
description BINDING SITE FOR RESIDUE V11 C 301
source : BC6

63) chain B
residue 95
type
sequence R
description BINDING SITE FOR RESIDUE CL C 501
source : BC7

64) chain C
residue 40
type
sequence K
description BINDING SITE FOR RESIDUE CL C 501
source : BC7

65) chain D
residue 116
type
sequence I
description BINDING SITE FOR RESIDUE CL C 502
source : BC8

66) chain C
residue 1
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 C 601
source : BC9

67) chain C
residue 2
type
sequence A
description BINDING SITE FOR RESIDUE SO4 C 601
source : BC9

68) chain C
residue 3
type
sequence N
description BINDING SITE FOR RESIDUE SO4 C 601
source : BC9

69) chain C
residue 25
type
sequence D
description BINDING SITE FOR RESIDUE SO4 C 602
source : CC1

70) chain C
residue 59
type
sequence K
description BINDING SITE FOR RESIDUE SO4 C 602
source : CC1

71) chain C
residue 60
type
sequence L
description BINDING SITE FOR RESIDUE SO4 C 602
source : CC1

72) chain C
residue 61
type
sequence N
description BINDING SITE FOR RESIDUE SO4 C 602
source : CC1

73) chain C
residue 186
type
sequence Y
description BINDING SITE FOR RESIDUE GOL C 701
source : CC2

74) chain C
residue 187
type
sequence S
description BINDING SITE FOR RESIDUE GOL C 701
source : CC2

75) chain C
residue 188
type
sequence C
description BINDING SITE FOR RESIDUE GOL C 701
source : CC2

76) chain D
residue 53
type
sequence Y
description BINDING SITE FOR RESIDUE GOL C 701
source : CC2

77) chain D
residue 162
type
sequence D
description BINDING SITE FOR RESIDUE GOL C 701
source : CC2

78) chain D
residue 164
type
sequence S
description BINDING SITE FOR RESIDUE GOL C 701
source : CC2

79) chain D
residue 165
type
sequence S
description BINDING SITE FOR RESIDUE GOL C 701
source : CC2

80) chain C
residue 93
type
sequence S
description BINDING SITE FOR RESIDUE GOL C 702
source : CC3

81) chain C
residue 95
type
sequence R
description BINDING SITE FOR RESIDUE GOL C 702
source : CC3

82) chain C
residue 96
type
sequence P
description BINDING SITE FOR RESIDUE GOL C 702
source : CC3

83) chain C
residue 97
type
sequence V
description BINDING SITE FOR RESIDUE GOL C 702
source : CC3

84) chain D
residue 100
type
sequence L
description BINDING SITE FOR RESIDUE GOL C 702
source : CC3

85) chain D
residue 89
type
sequence T
description BINDING SITE FOR RESIDUE V11 D 301
source : CC4

86) chain D
residue 91
type
sequence Y
description BINDING SITE FOR RESIDUE V11 D 301
source : CC4

87) chain D
residue 143
type
sequence G
description BINDING SITE FOR RESIDUE V11 D 301
source : CC4

88) chain D
residue 144
type
sequence S
description BINDING SITE FOR RESIDUE V11 D 301
source : CC4

89) chain D
residue 145
type
sequence W
description BINDING SITE FOR RESIDUE V11 D 301
source : CC4

90) chain D
residue 186
type
sequence Y
description BINDING SITE FOR RESIDUE V11 D 301
source : CC4

91) chain D
residue 188
type
sequence C
description BINDING SITE FOR RESIDUE V11 D 301
source : CC4

92) chain D
residue 189
type
sequence C
description BINDING SITE FOR RESIDUE V11 D 301
source : CC4

93) chain D
residue 193
type
sequence Y
description BINDING SITE FOR RESIDUE V11 D 301
source : CC4

94) chain E
residue 55
type
sequence Q
description BINDING SITE FOR RESIDUE V11 D 301
source : CC4

95) chain E
residue 116
type
sequence I
description BINDING SITE FOR RESIDUE V11 D 301
source : CC4

96) chain C
residue 95
type
sequence R
description BINDING SITE FOR RESIDUE CL D 501
source : CC5

97) chain D
residue 40
type
sequence K
description BINDING SITE FOR RESIDUE CL D 501
source : CC5

98) chain D
residue 165
type
sequence S
description BINDING SITE FOR RESIDUE CL D 502
source : CC6

99) chain E
residue 116
type
sequence I
description BINDING SITE FOR RESIDUE CL D 503
source : CC7

100) chain B
residue 185
type
sequence H
description BINDING SITE FOR RESIDUE SO4 D 601
source : CC8

101) chain C
residue 126
type
sequence D
description BINDING SITE FOR RESIDUE SO4 D 601
source : CC8

102) chain D
residue 167
type
sequence Y
description BINDING SITE FOR RESIDUE SO4 D 601
source : CC8

103) chain D
residue 169
type
sequence S
description BINDING SITE FOR RESIDUE SO4 D 601
source : CC8

104) chain D
residue 141
type
sequence K
description BINDING SITE FOR RESIDUE SO4 D 602
source : CC9

105) chain D
residue 182
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 D 602
source : CC9

106) chain D
residue 197
type
sequence N
description BINDING SITE FOR RESIDUE SO4 D 602
source : CC9

107) chain D
residue 1
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 D 603
source : DC1

108) chain D
residue 2
type
sequence A
description BINDING SITE FOR RESIDUE SO4 D 603
source : DC1

109) chain D
residue 3
type
sequence N
description BINDING SITE FOR RESIDUE SO4 D 603
source : DC1

110) chain D
residue 157
type
sequence D
description BINDING SITE FOR RESIDUE GOL D 701
source : DC2

111) chain D
residue 158
type
sequence T
description BINDING SITE FOR RESIDUE GOL D 701
source : DC2

112) chain D
residue 159
type
sequence D
description BINDING SITE FOR RESIDUE GOL D 701
source : DC2

113) chain D
residue 17
type
sequence M
description BINDING SITE FOR RESIDUE GOL D 702
source : DC3

114) chain D
residue 83
type
sequence I
description BINDING SITE FOR RESIDUE GOL D 702
source : DC3

115) chain D
residue 84
type
sequence W
description BINDING SITE FOR RESIDUE GOL D 702
source : DC3

116) chain D
residue 85
type
sequence T
description BINDING SITE FOR RESIDUE GOL D 702
source : DC3

117) chain D
residue 79
type
sequence S
description BINDING SITE FOR RESIDUE GOL D 703
source : DC4

118) chain D
residue 102
type
sequence P
description BINDING SITE FOR RESIDUE GOL D 703
source : DC4

119) chain D
residue 103
type
sequence Q
description BINDING SITE FOR RESIDUE GOL D 703
source : DC4

120) chain A
residue 116
type
sequence I
description BINDING SITE FOR RESIDUE V11 E 301
source : DC5

121) chain E
residue 89
type
sequence T
description BINDING SITE FOR RESIDUE V11 E 301
source : DC5

122) chain E
residue 91
type
sequence Y
description BINDING SITE FOR RESIDUE V11 E 301
source : DC5

123) chain E
residue 141
type
sequence K
description BINDING SITE FOR RESIDUE V11 E 301
source : DC5

124) chain E
residue 143
type
sequence G
description BINDING SITE FOR RESIDUE V11 E 301
source : DC5

125) chain E
residue 144
type
sequence S
description BINDING SITE FOR RESIDUE V11 E 301
source : DC5

126) chain E
residue 145
type
sequence W
description BINDING SITE FOR RESIDUE V11 E 301
source : DC5

127) chain E
residue 186
type
sequence Y
description BINDING SITE FOR RESIDUE V11 E 301
source : DC5

128) chain E
residue 188
type
sequence C
description BINDING SITE FOR RESIDUE V11 E 301
source : DC5

129) chain E
residue 193
type
sequence Y
description BINDING SITE FOR RESIDUE V11 E 301
source : DC5

130) chain E
residue 40
type
sequence K
description BINDING SITE FOR RESIDUE CL E 501
source : DC6

131) chain A
residue 116
type
sequence I
description BINDING SITE FOR RESIDUE CL E 502
source : DC7

132) chain E
residue 141
type
sequence K
description BINDING SITE FOR RESIDUE SO4 E 601
source : DC8

133) chain E
residue 182
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 E 601
source : DC8

134) chain E
residue 197
type
sequence N
description BINDING SITE FOR RESIDUE SO4 E 601
source : DC8

135) chain D
residue 126
type
sequence D
description BINDING SITE FOR RESIDUE SO4 E 602
source : DC9

136) chain E
residue 167
type
sequence Y
description BINDING SITE FOR RESIDUE SO4 E 602
source : DC9

137) chain E
residue 169
type
sequence S
description BINDING SITE FOR RESIDUE SO4 E 602
source : DC9

138) chain E
residue 1
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 E 603
source : EC1

139) chain E
residue 2
type
sequence A
description BINDING SITE FOR RESIDUE SO4 E 603
source : EC1

140) chain E
residue 3
type
sequence N
description BINDING SITE FOR RESIDUE SO4 E 603
source : EC1

141) chain D
residue 91
type
sequence Y
description BINDING SITE FOR RESIDUE SO4 E 604
source : EC2

142) chain D
residue 92
type
sequence S
description BINDING SITE FOR RESIDUE SO4 E 604
source : EC2

143) chain E
residue 36
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 E 604
source : EC2

144) chain E
residue 165
type
sequence S
description BINDING SITE FOR RESIDUE SO4 E 604
source : EC2

145) chain E
residue 167
type
sequence Y
description BINDING SITE FOR RESIDUE SO4 E 604
source : EC2

146) chain A
residue 167
type
sequence Y
description BINDING SITE FOR RESIDUE SO4 E 605
source : EC3

147) chain A
residue 169
type
sequence S
description BINDING SITE FOR RESIDUE SO4 E 605
source : EC3

148) chain E
residue 126
type
sequence D
description BINDING SITE FOR RESIDUE SO4 E 605
source : EC3


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