eF-site ID 4nea-ABCD
PDB Code 4nea
Chain A, B, C, D

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Title 1.90 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
Classification OXIDOREDUCTASE
Compound Betaine aldehyde dehydrogenase
Source (Q5HCU0_STAAC)
Sequence A:  MHHHHHHSAMELLKHLSQRQYIDGEWVESANKNTRDIINP
YNQEVIFTVSEGTKEDAERAILAARRAFESGEWSQETAET
RGKKVRAIADKIKEHREALARLETLDTGKTLEESYADMDD
IHNVFMYFAGLADKDGGEMIDSPIPDTESKIVKEPVGVVT
QITPWNYPLLQASWKIAPALATGCSLVMKPSEITPLTTIR
VFELMEEVGFPKGTINLILGAGSEVGDVMSGHKEVDLVSF
TGGIETGKHIMKNAANNVTNIALELGGKNPNIIFDDADFE
LAVDQALNGGYFHAGQVCSAGSRILVQNSIKDKFEQALID
RVKKIKLGNGFDADTEMGPVISTEHRNKIESYMDVAKAEG
ATIAVGGKRPDRDDLKDGLFFEPTVITNCDTSMRIVQEEV
FGPVVTVEGFETEQEAIQLANDSIYGLAGAVFSKDIGKAQ
RVANKLKLGTVWINDFHPYFAQAPWGGYKQSGIGRELGKE
GLEEYLVSKHILTNTNPQLVNWFSK
B:  QSNAMELLKHLSQRQYIDGEWVESANKNTRDIINPYNQEV
IFTVSEGTKEDAERAILAARRAFESGEWSQETAETRGKKV
RAIADKIKEHREALARLETLDTGKTLEESYADMDDIHNVF
MYFAGLADKDGGEMIDSPIPDTESKIVKEPVGVVTQITPW
NYPLLQASWKIAPALATGCSLVMKPSEITPLTTIRVFELM
EEVGFPKGTINLILGAGSEVGDVMSGHKEVDLVSFTGGIE
TGKHIMKNAANNVTNIALELGGKNPNIIFDDADFELAVDQ
ALNGGYFHAGQVCSAGSRILVQNSIKDKFEQALIDRVKKI
KLGNGFDADTEMGPVISTEHRNKIESYMDVAKAEGATIAV
GGKRPDRDDLKDGLFFEPTVITNCDTSMRIVQEEVFGPVV
TVEGFETEQEAIQLANDSIYGLAGAVFSKDIGKAQRVANK
LKLGTVWINDFHPYFAQAPWGGYKQSGIGRELGKEGLEEY
LVSKHILTNTNPQLVNWFSK
C:  AMELLKHLSQRQYIDGEWVESANKNTRDIINPYNQEVIFT
VSEGTKEDAERAILAARRAFESGEWSQETAETRGKKVRAI
ADKIKEHREALARLETLDTGKTLEESYADMDDIHNVFMYF
AGLADKDGGEMIDSPIPDTESKIVKEPVGVVTQITPWNYP
LLQASWKIAPALATGCSLVMKPSEITPLTTIRVFELMEEV
GFPKGTINLILGAGSEVGDVMSGHKEVDLVSFTGGIETGK
HIMKNAANNVTNIALELGGKNPNIIFDDADFELAVDQALN
GGYFHAGQVCSAGSRILVQNSIKDKFEQALIDRVKKIKLG
NGFDADTEMGPVISTEHRNKIESYMDVAKAEGATIAVGGK
RPDRDDLKDGLFFEPTVITNCDTSMRIVQEEVFGPVVTVE
GFETEQEAIQLANDSIYGLAGAVFSKDIGKAQRVANKLKL
GTVWINDFHPYFAQAPWGGYKQSGIGRELGKEGLEEYLVS
KHILTNTNPQLVNWFSK
D:  YFQSNAMELLKHLSQRQYIDGEWVESANKNTRDIINPYNQ
EVIFTVSEGTKEDAERAILAARRAFESGEWSQETAETRGK
KVRAIADKIKEHREALARLETLDTGKTLEESYADMDDIHN
VFMYFAGLADKDGGEMIDSPIPDTESKIVKEPVGVVTQIT
PWNYPLLQASWKIAPALATGCSLVMKPSEITPLTTIRVFE
LMEEVGFPKGTINLILGAGSEVGDVMSGHKEVDLVSFTGG
IETGKHIMKNAANNVTNIALELGGKNPNIIFDDADFELAV
DQALNGGYFHAGQVCSAGSRILVQNSIKDKFEQALIDRVK
KIKLGNGFDADTEMGPVISTEHRNKIESYMDVAKAEGATI
AVGGKRPDRDDLKDGLFFEPTVITNCDTSMRIVQEEVFGP
VVTVEGFETEQEAIQLANDSIYGLAGAVFSKDIGKAQRVA
NKLKLGTVWINDFHPYFAQAPWGGYKQSGIGRELGKEGLE
EYLVSKHILTNTNPQLVNWFSK
Description


Functional site

1) chain A
residue 153
type
sequence I
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

2) chain A
residue 154
type
sequence T
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

3) chain A
residue 155
type
sequence P
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

4) chain A
residue 156
type
sequence W
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

5) chain A
residue 157
type
sequence N
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

6) chain A
residue 180
type
sequence K
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

7) chain A
residue 182
type
sequence S
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

8) chain A
residue 183
type
sequence E
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

9) chain A
residue 212
type
sequence A
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

10) chain A
residue 213
type
sequence G
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

11) chain A
residue 217
type
sequence G
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

12) chain A
residue 218
type
sequence D
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

13) chain A
residue 231
type
sequence F
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

14) chain A
residue 232
type
sequence T
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

15) chain A
residue 233
type
sequence G
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

16) chain A
residue 234
type
sequence G
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

17) chain A
residue 237
type
sequence T
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

18) chain A
residue 240
type
sequence H
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

19) chain A
residue 241
type
sequence I
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

20) chain A
residue 255
type
sequence E
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

21) chain A
residue 257
type
sequence G
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

22) chain A
residue 289
type
sequence C
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

23) chain A
residue 336
type
sequence H
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

24) chain A
residue 390
type
sequence E
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

25) chain A
residue 392
type
sequence F
description BINDING SITE FOR RESIDUE NAD A 501
source : AC1

26) chain A
residue 29
type
sequence I
description BINDING SITE FOR RESIDUE K A 502
source : AC2

27) chain A
residue 97
type
sequence D
description BINDING SITE FOR RESIDUE K A 502
source : AC2

28) chain A
residue 184
type
sequence I
description BINDING SITE FOR RESIDUE K A 502
source : AC2

29) chain A
residue 460
type
sequence K
description BINDING SITE FOR RESIDUE K A 503
source : AC3

30) chain A
residue 463
type
sequence G
description BINDING SITE FOR RESIDUE K A 503
source : AC3

31) chain C
residue 249
type
sequence V
description BINDING SITE FOR RESIDUE K A 503
source : AC3

32) chain C
residue 251
type
sequence N
description BINDING SITE FOR RESIDUE K A 503
source : AC3

33) chain A
residue 249
type
sequence V
description BINDING SITE FOR RESIDUE K A 504
source : AC4

34) chain A
residue 251
type
sequence N
description BINDING SITE FOR RESIDUE K A 504
source : AC4

35) chain C
residue 460
type
sequence K
description BINDING SITE FOR RESIDUE K A 504
source : AC4

36) chain C
residue 463
type
sequence G
description BINDING SITE FOR RESIDUE K A 504
source : AC4

37) chain A
residue 474
type
sequence E
description BINDING SITE FOR RESIDUE K A 505
source : AC5

38) chain A
residue 477
type
sequence L
description BINDING SITE FOR RESIDUE K A 505
source : AC5

39) chain A
residue 224
type
sequence K
description BINDING SITE FOR RESIDUE K A 506
source : AC6

40) chain A
residue 226
type
sequence V
description BINDING SITE FOR RESIDUE K A 506
source : AC6

41) chain A
residue 248
type
sequence N
description BINDING SITE FOR RESIDUE K A 506
source : AC6

42) chain A
residue 250
type
sequence T
description BINDING SITE FOR RESIDUE K A 506
source : AC6

43) chain B
residue 153
type
sequence I
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

44) chain B
residue 154
type
sequence T
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

45) chain B
residue 155
type
sequence P
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

46) chain B
residue 156
type
sequence W
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

47) chain B
residue 157
type
sequence N
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

48) chain B
residue 180
type
sequence K
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

49) chain B
residue 182
type
sequence S
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

50) chain B
residue 183
type
sequence E
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

51) chain B
residue 213
type
sequence G
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

52) chain B
residue 214
type
sequence S
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

53) chain B
residue 217
type
sequence G
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

54) chain B
residue 218
type
sequence D
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

55) chain B
residue 231
type
sequence F
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

56) chain B
residue 232
type
sequence T
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

57) chain B
residue 233
type
sequence G
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

58) chain B
residue 234
type
sequence G
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

59) chain B
residue 237
type
sequence T
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

60) chain B
residue 240
type
sequence H
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

61) chain B
residue 241
type
sequence I
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

62) chain B
residue 255
type
sequence E
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

63) chain B
residue 256
type
sequence L
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

64) chain B
residue 257
type
sequence G
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

65) chain B
residue 289
type
sequence C
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

66) chain B
residue 336
type
sequence H
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

67) chain B
residue 339
type
sequence K
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

68) chain B
residue 390
type
sequence E
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

69) chain B
residue 392
type
sequence F
description BINDING SITE FOR RESIDUE NAD B 501
source : AC7

70) chain B
residue 460
type
sequence K
description BINDING SITE FOR RESIDUE K B 502
source : AC8

71) chain B
residue 463
type
sequence G
description BINDING SITE FOR RESIDUE K B 502
source : AC8

72) chain D
residue 249
type
sequence V
description BINDING SITE FOR RESIDUE K B 502
source : AC8

73) chain D
residue 251
type
sequence N
description BINDING SITE FOR RESIDUE K B 502
source : AC8

74) chain B
residue 29
type
sequence I
description BINDING SITE FOR RESIDUE K B 503
source : AC9

75) chain B
residue 97
type
sequence D
description BINDING SITE FOR RESIDUE K B 503
source : AC9

76) chain B
residue 184
type
sequence I
description BINDING SITE FOR RESIDUE K B 503
source : AC9

77) chain B
residue 249
type
sequence V
description BINDING SITE FOR RESIDUE K B 504
source : BC1

78) chain B
residue 251
type
sequence N
description BINDING SITE FOR RESIDUE K B 504
source : BC1

79) chain D
residue 460
type
sequence K
description BINDING SITE FOR RESIDUE K B 504
source : BC1

80) chain D
residue 463
type
sequence G
description BINDING SITE FOR RESIDUE K B 504
source : BC1

81) chain B
residue 474
type
sequence E
description BINDING SITE FOR RESIDUE K B 505
source : BC2

82) chain B
residue 477
type
sequence L
description BINDING SITE FOR RESIDUE K B 505
source : BC2

83) chain B
residue 224
type
sequence K
description BINDING SITE FOR RESIDUE K B 506
source : BC3

84) chain B
residue 226
type
sequence V
description BINDING SITE FOR RESIDUE K B 506
source : BC3

85) chain B
residue 248
type
sequence N
description BINDING SITE FOR RESIDUE K B 506
source : BC3

86) chain B
residue 250
type
sequence T
description BINDING SITE FOR RESIDUE K B 506
source : BC3

87) chain C
residue 153
type
sequence I
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

88) chain C
residue 154
type
sequence T
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

89) chain C
residue 155
type
sequence P
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

90) chain C
residue 156
type
sequence W
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

91) chain C
residue 157
type
sequence N
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

92) chain C
residue 180
type
sequence K
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

93) chain C
residue 181
type
sequence P
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

94) chain C
residue 182
type
sequence S
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

95) chain C
residue 183
type
sequence E
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

96) chain C
residue 212
type
sequence A
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

97) chain C
residue 213
type
sequence G
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

98) chain C
residue 214
type
sequence S
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

99) chain C
residue 217
type
sequence G
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

100) chain C
residue 218
type
sequence D
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

101) chain C
residue 231
type
sequence F
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

102) chain C
residue 232
type
sequence T
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

103) chain C
residue 233
type
sequence G
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

104) chain C
residue 234
type
sequence G
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

105) chain C
residue 237
type
sequence T
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

106) chain C
residue 240
type
sequence H
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

107) chain C
residue 241
type
sequence I
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

108) chain C
residue 255
type
sequence E
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

109) chain C
residue 256
type
sequence L
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

110) chain C
residue 257
type
sequence G
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

111) chain C
residue 289
type
sequence C
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

112) chain C
residue 336
type
sequence H
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

113) chain C
residue 339
type
sequence K
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

114) chain C
residue 390
type
sequence E
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

115) chain C
residue 392
type
sequence F
description BINDING SITE FOR RESIDUE NAD C 501
source : BC4

116) chain C
residue 29
type
sequence I
description BINDING SITE FOR RESIDUE K C 502
source : BC5

117) chain C
residue 97
type
sequence D
description BINDING SITE FOR RESIDUE K C 502
source : BC5

118) chain C
residue 184
type
sequence I
description BINDING SITE FOR RESIDUE K C 502
source : BC5

119) chain C
residue 224
type
sequence K
description BINDING SITE FOR RESIDUE K C 503
source : BC6

120) chain C
residue 226
type
sequence V
description BINDING SITE FOR RESIDUE K C 503
source : BC6

121) chain C
residue 248
type
sequence N
description BINDING SITE FOR RESIDUE K C 503
source : BC6

122) chain C
residue 250
type
sequence T
description BINDING SITE FOR RESIDUE K C 503
source : BC6

123) chain C
residue 474
type
sequence E
description BINDING SITE FOR RESIDUE K C 504
source : BC7

124) chain C
residue 477
type
sequence L
description BINDING SITE FOR RESIDUE K C 504
source : BC7

125) chain D
residue 153
type
sequence I
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

126) chain D
residue 154
type
sequence T
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

127) chain D
residue 155
type
sequence P
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

128) chain D
residue 156
type
sequence W
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

129) chain D
residue 157
type
sequence N
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

130) chain D
residue 180
type
sequence K
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

131) chain D
residue 182
type
sequence S
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

132) chain D
residue 183
type
sequence E
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

133) chain D
residue 212
type
sequence A
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

134) chain D
residue 213
type
sequence G
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

135) chain D
residue 214
type
sequence S
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

136) chain D
residue 217
type
sequence G
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

137) chain D
residue 218
type
sequence D
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

138) chain D
residue 231
type
sequence F
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

139) chain D
residue 232
type
sequence T
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

140) chain D
residue 233
type
sequence G
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

141) chain D
residue 234
type
sequence G
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

142) chain D
residue 237
type
sequence T
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

143) chain D
residue 240
type
sequence H
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

144) chain D
residue 241
type
sequence I
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

145) chain D
residue 255
type
sequence E
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

146) chain D
residue 257
type
sequence G
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

147) chain D
residue 289
type
sequence C
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

148) chain D
residue 336
type
sequence H
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

149) chain D
residue 339
type
sequence K
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

150) chain D
residue 390
type
sequence E
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

151) chain D
residue 392
type
sequence F
description BINDING SITE FOR RESIDUE NAD D 501
source : BC8

152) chain D
residue 224
type
sequence K
description BINDING SITE FOR RESIDUE K D 502
source : BC9

153) chain D
residue 226
type
sequence V
description BINDING SITE FOR RESIDUE K D 502
source : BC9

154) chain D
residue 248
type
sequence N
description BINDING SITE FOR RESIDUE K D 502
source : BC9

155) chain D
residue 250
type
sequence T
description BINDING SITE FOR RESIDUE K D 502
source : BC9

156) chain D
residue 474
type
sequence E
description BINDING SITE FOR RESIDUE K D 503
source : CC1

157) chain D
residue 477
type
sequence L
description BINDING SITE FOR RESIDUE K D 503
source : CC1

158) chain D
residue 29
type
sequence I
description BINDING SITE FOR RESIDUE K D 504
source : CC2

159) chain D
residue 97
type
sequence D
description BINDING SITE FOR RESIDUE K D 504
source : CC2

160) chain D
residue 184
type
sequence I
description BINDING SITE FOR RESIDUE K D 504
source : CC2

161) chain A
residue 282-293
type prosite
sequence YFHAGQVCSAGS
description ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. YfHAGQVCSAGS
source prosite : PS00070

162) chain A
residue 254-261
type prosite
sequence LELGGKNP
description ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKNP
source prosite : PS00687


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