eF-site ID 5al5-AB
PDB Code 5al5
Chain A, B

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Title Crystal structure of TNKS2 in complex with 2-(4-((pyridin-4-yl)methyl) piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one
Classification TRANSFERASE
Compound TANKYRASE-2
Source Homo sapiens (Human) (TNKS2_HUMAN)
Sequence A:  GTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNR
YNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFH
GSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQY
VYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFS
AMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLI
TYQIMRPE
B:  GTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNR
YNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFH
GSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQY
VYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFS
AMKMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEY
LITYQIMRPE
Description


Functional site

1) chain A
residue 1081
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 2162
source : AC1

2) chain A
residue 1084
type
sequence H
description BINDING SITE FOR RESIDUE ZN A 2162
source : AC1

3) chain A
residue 1089
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 2162
source : AC1

4) chain A
residue 1092
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 2162
source : AC1

5) chain B
residue 1081
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 2162
source : AC2

6) chain B
residue 1084
type
sequence H
description BINDING SITE FOR RESIDUE ZN B 2162
source : AC2

7) chain B
residue 1089
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 2162
source : AC2

8) chain B
residue 1092
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 2162
source : AC2

9) chain A
residue 977
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 2163
source : AC3

10) chain A
residue 979
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 2163
source : AC3

11) chain A
residue 980
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 2163
source : AC3

12) chain A
residue 1067
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 2163
source : AC3

13) chain A
residue 1070
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 A 2163
source : AC3

14) chain B
residue 977
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 2163
source : AC4

15) chain B
residue 979
type
sequence H
description BINDING SITE FOR RESIDUE SO4 B 2163
source : AC4

16) chain B
residue 980
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 2163
source : AC4

17) chain B
residue 1067
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 2163
source : AC4

18) chain B
residue 1070
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 B 2163
source : AC4

19) chain B
residue 990
type
sequence N
description BINDING SITE FOR RESIDUE SO4 B 2164
source : AC5

20) chain B
residue 991
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 2164
source : AC5

21) chain B
residue 1160
type
sequence P
description BINDING SITE FOR RESIDUE SO4 B 2164
source : AC5

22) chain B
residue 1161
type
sequence E
description BINDING SITE FOR RESIDUE SO4 B 2164
source : AC5

23) chain A
residue 990
type
sequence N
description BINDING SITE FOR RESIDUE SO4 A 2164
source : AC6

24) chain A
residue 991
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 2164
source : AC6

25) chain A
residue 1160
type
sequence P
description BINDING SITE FOR RESIDUE SO4 A 2164
source : AC6

26) chain A
residue 1161
type
sequence E
description BINDING SITE FOR RESIDUE SO4 A 2164
source : AC6

27) chain B
residue 1031
type
sequence H
description BINDING SITE FOR RESIDUE JL9 B 2165
source : AC7

28) chain B
residue 1032
type
sequence G
description BINDING SITE FOR RESIDUE JL9 B 2165
source : AC7

29) chain B
residue 1049
type
sequence A
description BINDING SITE FOR RESIDUE JL9 B 2165
source : AC7

30) chain B
residue 1050
type
sequence Y
description BINDING SITE FOR RESIDUE JL9 B 2165
source : AC7

31) chain B
residue 1060
type
sequence Y
description BINDING SITE FOR RESIDUE JL9 B 2165
source : AC7

32) chain B
residue 1068
type
sequence S
description BINDING SITE FOR RESIDUE JL9 B 2165
source : AC7

33) chain B
residue 1071
type
sequence Y
description BINDING SITE FOR RESIDUE JL9 B 2165
source : AC7

34) chain A
residue 1031
type
sequence H
description BINDING SITE FOR RESIDUE JL9 A 2165
source : AC8

35) chain A
residue 1032
type
sequence G
description BINDING SITE FOR RESIDUE JL9 A 2165
source : AC8

36) chain A
residue 1033
type
sequence S
description BINDING SITE FOR RESIDUE JL9 A 2165
source : AC8

37) chain A
residue 1035
type
sequence F
description BINDING SITE FOR RESIDUE JL9 A 2165
source : AC8

38) chain A
residue 1049
type
sequence A
description BINDING SITE FOR RESIDUE JL9 A 2165
source : AC8

39) chain A
residue 1050
type
sequence Y
description BINDING SITE FOR RESIDUE JL9 A 2165
source : AC8

40) chain A
residue 1060
type
sequence Y
description BINDING SITE FOR RESIDUE JL9 A 2165
source : AC8

41) chain A
residue 1062
type
sequence A
description BINDING SITE FOR RESIDUE JL9 A 2165
source : AC8

42) chain A
residue 1068
type
sequence S
description BINDING SITE FOR RESIDUE JL9 A 2165
source : AC8

43) chain A
residue 1071
type
sequence Y
description BINDING SITE FOR RESIDUE JL9 A 2165
source : AC8

44) chain A
residue 1075
type
sequence I
description BINDING SITE FOR RESIDUE JL9 A 2165
source : AC8

45) chain A
residue 1138
type
sequence E
description BINDING SITE FOR RESIDUE JL9 A 2165
source : AC8

46) chain A
residue 1129
type
sequence P
description BINDING SITE FOR RESIDUE GOL A 2166
source : AC9

47) chain A
residue 1129
type
sequence P
description BINDING SITE FOR RESIDUE GOL A 2166
source : AC9

48) chain A
residue 1130
type
sequence S
description BINDING SITE FOR RESIDUE GOL A 2166
source : AC9

49) chain A
residue 1130
type
sequence S
description BINDING SITE FOR RESIDUE GOL A 2166
source : AC9

50) chain A
residue 1131
type
sequence V
description BINDING SITE FOR RESIDUE GOL A 2166
source : AC9

51) chain A
residue 1131
type
sequence V
description BINDING SITE FOR RESIDUE GOL A 2166
source : AC9

52) chain A
residue 1133
type
sequence G
description BINDING SITE FOR RESIDUE GOL A 2166
source : AC9

53) chain A
residue 1055
type
sequence F
description BINDING SITE FOR RESIDUE GOL A 2167
source : BC1

54) chain A
residue 1111
type
sequence S
description BINDING SITE FOR RESIDUE GOL A 2167
source : BC1

55) chain A
residue 1112
type
sequence A
description BINDING SITE FOR RESIDUE GOL A 2167
source : BC1

56) chain A
residue 1127
type
sequence G
description BINDING SITE FOR RESIDUE GOL A 2167
source : BC1

57) chain A
residue 1128
type
sequence R
description BINDING SITE FOR RESIDUE GOL A 2167
source : BC1

58) chain A
residue 1129
type
sequence P
description BINDING SITE FOR RESIDUE GOL A 2167
source : BC1

59) chain A
residue 1138
type
sequence E
description BINDING SITE FOR RESIDUE GOL A 2167
source : BC1

60) chain A
residue 1081
type BINDING
sequence C
description BINDING => ECO:0000250|UniProtKB:O95271
source Swiss-Prot : SWS_FT_FI1

61) chain A
residue 1084
type BINDING
sequence H
description BINDING => ECO:0000250|UniProtKB:O95271
source Swiss-Prot : SWS_FT_FI1

62) chain A
residue 1089
type BINDING
sequence C
description BINDING => ECO:0000250|UniProtKB:O95271
source Swiss-Prot : SWS_FT_FI1

63) chain A
residue 1092
type BINDING
sequence C
description BINDING => ECO:0000250|UniProtKB:O95271
source Swiss-Prot : SWS_FT_FI1

64) chain B
residue 1081
type BINDING
sequence C
description BINDING => ECO:0000250|UniProtKB:O95271
source Swiss-Prot : SWS_FT_FI1

65) chain B
residue 1084
type BINDING
sequence H
description BINDING => ECO:0000250|UniProtKB:O95271
source Swiss-Prot : SWS_FT_FI1

66) chain B
residue 1089
type BINDING
sequence C
description BINDING => ECO:0000250|UniProtKB:O95271
source Swiss-Prot : SWS_FT_FI1

67) chain B
residue 1092
type BINDING
sequence C
description BINDING => ECO:0000250|UniProtKB:O95271
source Swiss-Prot : SWS_FT_FI1


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