eF-site ID 5xb3-AB
PDB Code 5xb3
Chain A, B

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Title ADP-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
ELAKEEENVVVIDASGEEEEVFKEILRALSGVL
B:  MLIAFEGIDGSGKTTQAKKLYEYLKQKGYFVSLYREPGGT
KVGEVLREILLTEELDERTELLLFEASRSKLIEEKIIPDL
KRDKVVILDRFVLSTIAYQGYGKGLDVEFIKNLNEFATRG
VKPDITLLLDIPVDIALRRLKEKNRFENKEFLEKVRKGFL
ELAKEEENVVVIDASGEEEEVFKEILRALSGVLR
Description


Functional site

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

20) chain B
residue 10
type
sequence G
description binding site for residue ADP B 201
source : AC3

21) chain B
residue 11
type
sequence S
description binding site for residue ADP B 201
source : AC3

22) chain B
residue 12
type
sequence G
description binding site for residue ADP B 201
source : AC3

23) chain B
residue 13
type
sequence K
description binding site for residue ADP B 201
source : AC3

24) chain B
residue 14
type
sequence T
description binding site for residue ADP B 201
source : AC3

25) chain B
residue 15
type
sequence T
description binding site for residue ADP B 201
source : AC3

26) chain B
residue 139
type
sequence R
description binding site for residue ADP B 201
source : AC3

27) chain B
residue 143
type
sequence K
description binding site for residue ADP B 201
source : AC3

28) chain B
residue 145
type
sequence R
description binding site for residue ADP B 201
source : AC3

29) chain B
residue 176
type
sequence G
description binding site for residue ADP B 201
source : AC3

30) chain B
residue 177
type
sequence E
description binding site for residue ADP B 201
source : AC3

31) chain B
residue 178
type
sequence E
description binding site for residue ADP B 201
source : AC3

32) chain B
residue 9
type
sequence D
description binding site for residue TMP B 202
source : AC4

33) chain B
residue 36
type
sequence E
description binding site for residue TMP B 202
source : AC4

34) chain B
residue 47
type
sequence R
description binding site for residue TMP B 202
source : AC4

35) chain B
residue 64
type
sequence F
description binding site for residue TMP B 202
source : AC4

36) chain B
residue 90
type
sequence R
description binding site for residue TMP B 202
source : AC4

37) chain B
residue 95
type
sequence T
description binding site for residue TMP B 202
source : AC4

38) chain B
residue 98
type
sequence Y
description binding site for residue TMP B 202
source : AC4

39) chain B
residue 99
type
sequence Q
description binding site for residue TMP B 202
source : AC4

40) chain B
residue 145
type
sequence R
description binding site for residue TMP B 202
source : AC4

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

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

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


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