eF-site ID 5xb2-AB
PDB Code 5xb2
Chain A, B

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Title ADP-Mg-F-dTMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Classification TRANSFERASE
Compound Thymidylate kinase
Source Aquifex aeolicus (strain VF5) (KTHY_AQUAE)
Sequence A:  MLIAFEGIDGSGKTTQAKKLYEYLKQKGYFVSLYREPGGT
KVGEVLREILLTEELDERTELLLFEASRSKLIEEKIIPDL
KRDKVVILDRFVLSTIAYQGYGKGLDVEFIKNLNEFATRG
VKPDITLLLDIPVDIALRRLKEKNRFENKEFLEKVRKGFL
ELAKEEENVVVIDASGEEEEVFKEILRALSGVLR
B:  MLIAFEGIDGSGKTTQAKKLYEYLKQKGYFVSLYREPGGT
KVGEVLREILLTEELDERTELLLFEASRSKLIEEKIIPDL
KRDKVVILDRFVLSTIAYQGYGKGLDVEFIKNLNEFATRG
VKPDITLLLDIPVDIALRRLKEKNRFENKEFLEKVRKGFL
ELAKEEENVVVIDASGEEEEVFKEILRALSGVLR
Description


Functional site

1) chain B
residue 10
type
sequence G
description binding site for residue ADP B 201
source : AC1

2) chain B
residue 11
type
sequence S
description binding site for residue ADP B 201
source : AC1

3) chain B
residue 12
type
sequence G
description binding site for residue ADP B 201
source : AC1

4) chain B
residue 13
type
sequence K
description binding site for residue ADP B 201
source : AC1

5) chain B
residue 14
type
sequence T
description binding site for residue ADP B 201
source : AC1

6) chain B
residue 15
type
sequence T
description binding site for residue ADP B 201
source : AC1

7) chain B
residue 139
type
sequence R
description binding site for residue ADP B 201
source : AC1

8) chain B
residue 145
type
sequence R
description binding site for residue ADP B 201
source : AC1

9) chain B
residue 176
type
sequence G
description binding site for residue ADP B 201
source : AC1

10) chain B
residue 177
type
sequence E
description binding site for residue ADP B 201
source : AC1

11) chain B
residue 178
type
sequence E
description binding site for residue ADP B 201
source : AC1

12) chain B
residue 9
type
sequence D
description binding site for residue TMP B 202
source : AC2

13) chain B
residue 36
type
sequence E
description binding site for residue TMP B 202
source : AC2

14) chain B
residue 47
type
sequence R
description binding site for residue TMP B 202
source : AC2

15) chain B
residue 64
type
sequence F
description binding site for residue TMP B 202
source : AC2

16) chain B
residue 68
type
sequence R
description binding site for residue TMP B 202
source : AC2

17) chain B
residue 90
type
sequence R
description binding site for residue TMP B 202
source : AC2

18) chain B
residue 95
type
sequence T
description binding site for residue TMP B 202
source : AC2

19) chain B
residue 98
type
sequence Y
description binding site for residue TMP B 202
source : AC2

20) chain B
residue 99
type
sequence Q
description binding site for residue TMP B 202
source : AC2

21) chain B
residue 145
type
sequence R
description binding site for residue TMP B 202
source : AC2

22) chain B
residue 14
type
sequence T
description binding site for residue MG B 203
source : AC3

23) chain B
residue 89
type
sequence D
description binding site for residue MG B 203
source : AC3

24) chain B
residue 13
type
sequence K
description binding site for residue F B 204
source : AC4

25) chain B
residue 14
type
sequence T
description binding site for residue F B 204
source : AC4

26) chain B
residue 89
type
sequence D
description binding site for residue F B 204
source : AC4

27) chain B
residue 14
type
sequence T
description binding site for residue F B 205
source : AC5

28) chain B
residue 145
type
sequence R
description binding site for residue F B 205
source : AC5

29) chain B
residue 14
type
sequence T
description binding site for residue F B 206
source : AC6

30) chain B
residue 89
type
sequence D
description binding site for residue F B 206
source : AC6

31) chain A
residue 10
type
sequence G
description binding site for residue ADP A 201
source : AC7

32) chain A
residue 11
type
sequence S
description binding site for residue ADP A 201
source : AC7

33) chain A
residue 12
type
sequence G
description binding site for residue ADP A 201
source : AC7

34) chain A
residue 13
type
sequence K
description binding site for residue ADP A 201
source : AC7

35) chain A
residue 14
type
sequence T
description binding site for residue ADP A 201
source : AC7

36) chain A
residue 15
type
sequence T
description binding site for residue ADP A 201
source : AC7

37) chain A
residue 139
type
sequence R
description binding site for residue ADP A 201
source : AC7

38) chain A
residue 143
type
sequence K
description binding site for residue ADP A 201
source : AC7

39) chain A
residue 145
type
sequence R
description binding site for residue ADP A 201
source : AC7

40) chain A
residue 176
type
sequence G
description binding site for residue ADP A 201
source : AC7

41) chain A
residue 177
type
sequence E
description binding site for residue ADP A 201
source : AC7

42) chain A
residue 178
type
sequence E
description binding site for residue ADP A 201
source : AC7

43) chain A
residue 9
type
sequence D
description binding site for residue TMP A 202
source : AC8

44) chain A
residue 36
type
sequence E
description binding site for residue TMP A 202
source : AC8

45) chain A
residue 47
type
sequence R
description binding site for residue TMP A 202
source : AC8

46) chain A
residue 64
type
sequence F
description binding site for residue TMP A 202
source : AC8

47) chain A
residue 68
type
sequence R
description binding site for residue TMP A 202
source : AC8

48) chain A
residue 90
type
sequence R
description binding site for residue TMP A 202
source : AC8

49) chain A
residue 95
type
sequence T
description binding site for residue TMP A 202
source : AC8

50) chain A
residue 98
type
sequence Y
description binding site for residue TMP A 202
source : AC8

51) chain A
residue 99
type
sequence Q
description binding site for residue TMP A 202
source : AC8

52) chain A
residue 145
type
sequence R
description binding site for residue TMP A 202
source : AC8

53) chain B
residue 7
type BINDING
sequence G
description BINDING => ECO:0000255
source Swiss-Prot : SWS_FT_FI1

54) chain A
residue 7
type BINDING
sequence G
description BINDING => ECO:0000255
source Swiss-Prot : SWS_FT_FI1

55) chain B
residue 87-99
type prosite
sequence ILDRFVLSTIAYQ
description THYMIDYLATE_KINASE Thymidylate kinase signature. ILDRFvlSTiAYQ
source prosite : PS01331


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