eF-site ID 3ua9-AB
PDB Code 3ua9
Chain A, B

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Title Crystal structure of human tankyrase 2 in complex with a selective inhibitor
Classification TRANSFERASE/TRANSFERASE INHIBITOR
Compound Tankyrase-2
Source Homo sapiens (Human) (TNKS2_HUMAN)
Sequence A:  GTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNR
YNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFH
GSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQY
VYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFS
AAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLIT
YQIMRPE
B:  GTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNR
YNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFH
GSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQY
VYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFS
AMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLI
TYQIMRPE
Description


Functional site

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

2) chain A
residue 1084
type
sequence H
description BINDING SITE FOR RESIDUE ZN A 1
source : AC1

3) chain A
residue 1089
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 1
source : AC1

4) chain A
residue 1092
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 1
source : AC1

5) chain A
residue 977
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 1163
source : AC2

6) chain A
residue 979
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 1163
source : AC2

7) chain A
residue 980
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 1163
source : AC2

8) chain A
residue 1067
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 1163
source : AC2

9) chain A
residue 1070
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 A 1163
source : AC2

10) chain A
residue 990
type
sequence N
description BINDING SITE FOR RESIDUE SO4 A 3
source : AC3

11) chain A
residue 991
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 3
source : AC3

12) chain A
residue 1160
type
sequence P
description BINDING SITE FOR RESIDUE SO4 A 3
source : AC3

13) chain A
residue 1161
type
sequence E
description BINDING SITE FOR RESIDUE SO4 A 3
source : AC3

14) chain A
residue 1031
type
sequence H
description BINDING SITE FOR RESIDUE IWR A 2
source : AC4

15) chain A
residue 1032
type
sequence G
description BINDING SITE FOR RESIDUE IWR A 2
source : AC4

16) chain A
residue 1033
type
sequence S
description BINDING SITE FOR RESIDUE IWR A 2
source : AC4

17) chain A
residue 1035
type
sequence F
description BINDING SITE FOR RESIDUE IWR A 2
source : AC4

18) chain A
residue 1038
type
sequence A
description BINDING SITE FOR RESIDUE IWR A 2
source : AC4

19) chain A
residue 1043
type
sequence G
description BINDING SITE FOR RESIDUE IWR A 2
source : AC4

20) chain A
residue 1044
type
sequence F
description BINDING SITE FOR RESIDUE IWR A 2
source : AC4

21) chain A
residue 1045
type
sequence D
description BINDING SITE FOR RESIDUE IWR A 2
source : AC4

22) chain A
residue 1048
type
sequence H
description BINDING SITE FOR RESIDUE IWR A 2
source : AC4

23) chain A
residue 1050
type
sequence Y
description BINDING SITE FOR RESIDUE IWR A 2
source : AC4

24) chain A
residue 1058
type
sequence G
description BINDING SITE FOR RESIDUE IWR A 2
source : AC4

25) chain A
residue 1060
type
sequence Y
description BINDING SITE FOR RESIDUE IWR A 2
source : AC4

26) chain A
residue 1075
type
sequence I
description BINDING SITE FOR RESIDUE IWR A 2
source : AC4

27) chain A
residue 1006
type
sequence W
description BINDING SITE FOR RESIDUE PEG A 1164
source : AC5

28) chain A
residue 1148
type
sequence Y
description BINDING SITE FOR RESIDUE PEG A 1164
source : AC5

29) chain A
residue 1150
type
sequence E
description BINDING SITE FOR RESIDUE PEG A 1164
source : AC5

30) chain B
residue 1081
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 2
source : AC6

31) chain B
residue 1084
type
sequence H
description BINDING SITE FOR RESIDUE ZN B 2
source : AC6

32) chain B
residue 1089
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 2
source : AC6

33) chain B
residue 1092
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 2
source : AC6

34) chain B
residue 977
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 1163
source : AC7

35) chain B
residue 979
type
sequence H
description BINDING SITE FOR RESIDUE SO4 B 1163
source : AC7

36) chain B
residue 980
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 1163
source : AC7

37) chain B
residue 1067
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 1163
source : AC7

38) chain B
residue 1070
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 B 1163
source : AC7

39) chain B
residue 990
type
sequence N
description BINDING SITE FOR RESIDUE SO4 B 4
source : AC8

40) chain B
residue 991
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 4
source : AC8

41) chain B
residue 1160
type
sequence P
description BINDING SITE FOR RESIDUE SO4 B 4
source : AC8

42) chain B
residue 1161
type
sequence E
description BINDING SITE FOR RESIDUE SO4 B 4
source : AC8

43) chain B
residue 1031
type
sequence H
description BINDING SITE FOR RESIDUE IWR B 1
source : AC9

44) chain B
residue 1035
type
sequence F
description BINDING SITE FOR RESIDUE IWR B 1
source : AC9

45) chain B
residue 1038
type
sequence A
description BINDING SITE FOR RESIDUE IWR B 1
source : AC9

46) chain B
residue 1043
type
sequence G
description BINDING SITE FOR RESIDUE IWR B 1
source : AC9

47) chain B
residue 1044
type
sequence F
description BINDING SITE FOR RESIDUE IWR B 1
source : AC9

48) chain B
residue 1045
type
sequence D
description BINDING SITE FOR RESIDUE IWR B 1
source : AC9

49) chain B
residue 1048
type
sequence H
description BINDING SITE FOR RESIDUE IWR B 1
source : AC9

50) chain B
residue 1050
type
sequence Y
description BINDING SITE FOR RESIDUE IWR B 1
source : AC9

51) chain B
residue 1058
type
sequence G
description BINDING SITE FOR RESIDUE IWR B 1
source : AC9

52) chain B
residue 1060
type
sequence Y
description BINDING SITE FOR RESIDUE IWR B 1
source : AC9

53) chain B
residue 1075
type
sequence I
description BINDING SITE FOR RESIDUE IWR B 1
source : AC9

54) chain B
residue 1006
type
sequence W
description BINDING SITE FOR RESIDUE PEG B 1164
source : BC1

55) chain B
residue 1148
type
sequence Y
description BINDING SITE FOR RESIDUE PEG B 1164
source : BC1

56) chain B
residue 1150
type
sequence E
description BINDING SITE FOR RESIDUE PEG B 1164
source : BC1

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

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

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

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

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

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

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

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


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