eF-site ID 6qa2-ABCDEF
PDB Code 6qa2
Chain A, B, C, D, E, F

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Title R80A MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS
Classification TRANSFERASE
Compound Nucleoside diphosphate kinase
Source (NDK_MYCTA)
Sequence A:  TERTLVLIKPDGIERQLIGEIISRIERKGLTIAALQLRTV
SAELASQHYAEHEGKPFFGSLLEFITSGPVVAAIVEGTAA
IAAVRQLAGGTDPVQAAAPGTIRGDFALETQFNLVHGSDS
AESAQREIALWFPGA
B:  TERTLVLIKPDGIERQLIGEIISRIERKGLTIAALQLRTV
SAELPFFGSLLEFITSGPVVAAIVEGTAAIAAVRQLAGGT
DPVQAAAPGTIRGDFALETQFNLVHGSDSAESAQREIALW
FPGA
C:  TERTLVLIKPDGIERQLIGEIISRIERKGLTIAALQLRTV
SAELASQHYAEHEGKPFFGSLLEFITSGPVVAAIVEGTAA
IAAVRQLAGGTDPVQAAAPGTIRGDFALETQFNLVHGSDS
AESAQREIALWFPGA
D:  TERTLVLIKPDGIERQLIGEIISRIERKGLTIAALQLRTV
SAEPFFGSLLEFITSGPVVAAIVEGTAAIAAVRQLAGGTD
PVQAAAPGTIRGDFALETQFNLVHGSDSAESAQREIALWF
PGA
E:  TERTLVLIKPDGIERQLIGEIISRIERKGLTIAALQLRTV
SAELASQHYAEHEGLEFITSGPVVAAIVEGTAAIAAVRQL
AGGTDPVQAAAPGTIRGDFALETQFNLVHGSDSAESAQRE
IALWFPGA
F:  TERTLVLIKPDGIERQLIGEIISRIERKGLTIAALQLRTV
SAEPFFGSLLEFITSGPVVAAIVEGTAAIAAVRQLAGGTD
PVQAAAPGTIRGDFALETQFNLVHGSDSAESAQREIALWF
PGA
Description


Functional site

1) chain A
residue 86
type
sequence R
description binding site for residue SO4 A 200
source : AC1

2) chain A
residue 92
type
sequence T
description binding site for residue SO4 A 200
source : AC1

3) chain A
residue 104
type
sequence R
description binding site for residue SO4 A 200
source : AC1

4) chain A
residue 117
type
sequence H
description binding site for residue SO4 A 200
source : AC1

5) chain A
residue 86
type
sequence R
description binding site for residue SO4 A 201
source : AC2

6) chain B
residue 86
type
sequence R
description binding site for residue SO4 B 201
source : AC3

7) chain B
residue 92
type
sequence T
description binding site for residue SO4 B 201
source : AC3

8) chain B
residue 104
type
sequence R
description binding site for residue SO4 B 201
source : AC3

9) chain B
residue 117
type
sequence H
description binding site for residue SO4 B 201
source : AC3

10) chain B
residue 86
type
sequence R
description binding site for residue SO4 B 202
source : AC4

11) chain B
residue 21
type
sequence E
description binding site for residue TAM B 203
source : AC5

12) chain B
residue 25
type
sequence R
description binding site for residue TAM B 203
source : AC5

13) chain B
residue 28
type
sequence R
description binding site for residue TAM B 203
source : AC5

14) chain D
residue 21
type
sequence E
description binding site for residue TAM B 203
source : AC5

15) chain D
residue 25
type
sequence R
description binding site for residue TAM B 203
source : AC5

16) chain D
residue 28
type
sequence R
description binding site for residue TAM B 203
source : AC5

17) chain F
residue 21
type
sequence E
description binding site for residue TAM B 203
source : AC5

18) chain F
residue 25
type
sequence R
description binding site for residue TAM B 203
source : AC5

19) chain F
residue 28
type
sequence R
description binding site for residue TAM B 203
source : AC5

20) chain C
residue 86
type
sequence R
description binding site for residue SO4 C 201
source : AC6

21) chain C
residue 92
type
sequence T
description binding site for residue SO4 C 201
source : AC6

22) chain C
residue 104
type
sequence R
description binding site for residue SO4 C 201
source : AC6

23) chain C
residue 117
type
sequence H
description binding site for residue SO4 C 201
source : AC6

24) chain C
residue 86
type
sequence R
description binding site for residue SO4 C 202
source : AC7

25) chain A
residue 21
type
sequence E
description binding site for residue TAM C 203
source : AC8

26) chain A
residue 25
type
sequence R
description binding site for residue TAM C 203
source : AC8

27) chain A
residue 28
type
sequence R
description binding site for residue TAM C 203
source : AC8

28) chain C
residue 21
type
sequence E
description binding site for residue TAM C 203
source : AC8

29) chain C
residue 25
type
sequence R
description binding site for residue TAM C 203
source : AC8

30) chain C
residue 28
type
sequence R
description binding site for residue TAM C 203
source : AC8

31) chain E
residue 21
type
sequence E
description binding site for residue TAM C 203
source : AC8

32) chain E
residue 25
type
sequence R
description binding site for residue TAM C 203
source : AC8

33) chain E
residue 28
type
sequence R
description binding site for residue TAM C 203
source : AC8

34) chain D
residue 86
type
sequence R
description binding site for residue SO4 D 200
source : AC9

35) chain D
residue 92
type
sequence T
description binding site for residue SO4 D 200
source : AC9

36) chain D
residue 104
type
sequence R
description binding site for residue SO4 D 200
source : AC9

37) chain D
residue 117
type
sequence H
description binding site for residue SO4 D 200
source : AC9

38) chain D
residue 86
type
sequence R
description binding site for residue SO4 D 201
source : AD1

39) chain E
residue 86
type
sequence R
description binding site for residue SO4 E 200
source : AD2

40) chain E
residue 92
type
sequence T
description binding site for residue SO4 E 200
source : AD2

41) chain E
residue 104
type
sequence R
description binding site for residue SO4 E 200
source : AD2

42) chain E
residue 117
type
sequence H
description binding site for residue SO4 E 200
source : AD2

43) chain E
residue 86
type
sequence R
description binding site for residue SO4 E 201
source : AD3

44) chain F
residue 86
type
sequence R
description binding site for residue SO4 F 200
source : AD4

45) chain F
residue 92
type
sequence T
description binding site for residue SO4 F 200
source : AD4

46) chain F
residue 104
type
sequence R
description binding site for residue SO4 F 200
source : AD4

47) chain F
residue 117
type
sequence H
description binding site for residue SO4 F 200
source : AD4

48) chain F
residue 86
type
sequence R
description binding site for residue SO4 F 201
source : AD5

49) chain A
residue 117
type ACT_SITE
sequence H
description Pros-phosphohistidine intermediate => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI1

50) chain B
residue 117
type ACT_SITE
sequence H
description Pros-phosphohistidine intermediate => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI1

51) chain C
residue 117
type ACT_SITE
sequence H
description Pros-phosphohistidine intermediate => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI1

52) chain D
residue 117
type ACT_SITE
sequence H
description Pros-phosphohistidine intermediate => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI1

53) chain E
residue 117
type ACT_SITE
sequence H
description Pros-phosphohistidine intermediate => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI1

54) chain F
residue 117
type ACT_SITE
sequence H
description Pros-phosphohistidine intermediate => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI1

55) chain A
residue 10
type BINDING
sequence K
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

56) chain A
residue 58
type BINDING
sequence F
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

57) chain A
residue 86
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

58) chain A
residue 92
type BINDING
sequence T
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

59) chain A
residue 104
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

60) chain A
residue 114
type BINDING
sequence N
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

61) chain B
residue 10
type BINDING
sequence K
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

62) chain B
residue 58
type BINDING
sequence F
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

63) chain B
residue 86
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

64) chain B
residue 92
type BINDING
sequence T
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

65) chain B
residue 104
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

66) chain B
residue 114
type BINDING
sequence N
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

67) chain C
residue 10
type BINDING
sequence K
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

68) chain C
residue 58
type BINDING
sequence F
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

69) chain C
residue 86
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

70) chain C
residue 92
type BINDING
sequence T
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

71) chain C
residue 104
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

72) chain C
residue 114
type BINDING
sequence N
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

73) chain D
residue 10
type BINDING
sequence K
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

74) chain D
residue 58
type BINDING
sequence F
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

75) chain D
residue 86
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

76) chain D
residue 92
type BINDING
sequence T
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

77) chain D
residue 104
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

78) chain D
residue 114
type BINDING
sequence N
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

79) chain E
residue 10
type BINDING
sequence K
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

80) chain E
residue 86
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

81) chain E
residue 92
type BINDING
sequence T
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

82) chain E
residue 104
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

83) chain E
residue 114
type BINDING
sequence N
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

84) chain F
residue 10
type BINDING
sequence K
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

85) chain F
residue 58
type BINDING
sequence F
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

86) chain F
residue 86
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

87) chain F
residue 92
type BINDING
sequence T
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

88) chain F
residue 104
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2

89) chain F
residue 114
type BINDING
sequence N
description BINDING => ECO:0000255|HAMAP-Rule:MF_00451
source Swiss-Prot : SWS_FT_FI2


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