eF-site ID 6gl9-AB
PDB Code 6gl9
Chain A, B

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Title Crystal structure of JAK3 in complex with Compound 10 (FM475)
Classification TRANSFERASE
Compound Tyrosine-protein kinase JAK3
Source (JAK3_HUMAN)
Sequence A:  QDPTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGAL
VAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSY
GPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSS
QICKGMEYLGSRRCVHRALAARNILVESEAHVKIADFGLA
KLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVW
SFGVVLYELFTYCDKSCSPSAEFLRMMGSERDVPALSRLL
ELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSAL
GPQLDMLWSGSR
B:  DPTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALV
AVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYG
PGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQ
ICKGMEYLGSRRCVHRALAARNILVESEAHVKIADFGLAK
LLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWS
FGVVLYELFTYCDKSCSPSAEFLRMMGSERDVPALSRLLE
LLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALG
PQLDMLWSGSR
Description


Functional site

1) chain A
residue 828
type
sequence L
description binding site for residue F3W A 1201
source : AC1

2) chain A
residue 836
type
sequence V
description binding site for residue F3W A 1201
source : AC1

3) chain A
residue 853
type
sequence A
description binding site for residue F3W A 1201
source : AC1

4) chain A
residue 903
type
sequence E
description binding site for residue F3W A 1201
source : AC1

5) chain A
residue 904
type
sequence Y
description binding site for residue F3W A 1201
source : AC1

6) chain A
residue 905
type
sequence L
description binding site for residue F3W A 1201
source : AC1

7) chain A
residue 909
type
sequence C
description binding site for residue F3W A 1201
source : AC1

8) chain A
residue 911
type
sequence R
description binding site for residue F3W A 1201
source : AC1

9) chain A
residue 912
type
sequence D
description binding site for residue F3W A 1201
source : AC1

10) chain A
residue 953
type
sequence R
description binding site for residue F3W A 1201
source : AC1

11) chain A
residue 956
type
sequence L
description binding site for residue F3W A 1201
source : AC1

12) chain A
residue 1011
type
sequence W
description binding site for residue PHU A 1202
source : AC2

13) chain A
residue 1030
type
sequence P
description binding site for residue PHU A 1202
source : AC2

14) chain A
residue 1059
type
sequence R
description binding site for residue PHU A 1202
source : AC2

15) chain A
residue 1060
type
sequence L
description binding site for residue PHU A 1202
source : AC2

16) chain A
residue 1078
type
sequence W
description binding site for residue PHU A 1202
source : AC2

17) chain A
residue 946
type
sequence V
description binding site for residue GOL A 1203
source : AC3

18) chain A
residue 948
type
sequence R
description binding site for residue GOL A 1203
source : AC3

19) chain A
residue 994
type
sequence Y
description binding site for residue GOL A 1203
source : AC3

20) chain A
residue 995
type
sequence A
description binding site for residue GOL A 1203
source : AC3

21) chain A
residue 998
type
sequence S
description binding site for residue GOL A 1203
source : AC3

22) chain A
residue 1004
type
sequence F
description binding site for residue GOL A 1203
source : AC3

23) chain A
residue 1008
type
sequence S
description binding site for residue GOL A 1203
source : AC3

24) chain A
residue 1009
type
sequence D
description binding site for residue GOL A 1203
source : AC3

25) chain A
residue 1012
type
sequence S
description binding site for residue GOL A 1203
source : AC3

26) chain A
residue 823
type
sequence K
description binding site for residue EDO A 1204
source : AC4

27) chain A
residue 840
type
sequence R
description binding site for residue EDO A 1204
source : AC4

28) chain A
residue 847
type
sequence N
description binding site for residue EDO A 1204
source : AC4

29) chain A
residue 984
type
sequence R
description binding site for residue EDO A 1204
source : AC4

30) chain A
residue 827
type
sequence Q
description binding site for residue EDO A 1205
source : AC5

31) chain A
residue 830
type
sequence K
description binding site for residue EDO A 1205
source : AC5

32) chain B
residue 882
type
sequence F
description binding site for residue EDO A 1205
source : AC5

33) chain B
residue 962
type
sequence H
description binding site for residue EDO A 1205
source : AC5

34) chain A
residue 831
type
sequence G
description binding site for residue EDO A 1206
source : AC6

35) chain A
residue 834
type
sequence G
description binding site for residue EDO A 1206
source : AC6

36) chain A
residue 855
type
sequence K
description binding site for residue EDO A 1206
source : AC6

37) chain A
residue 846
type
sequence D
description binding site for residue EDO A 1207
source : AC7

38) chain A
residue 847
type
sequence N
description binding site for residue EDO A 1207
source : AC7

39) chain A
residue 863
type
sequence D
description binding site for residue EDO A 1207
source : AC7

40) chain A
residue 867
type
sequence D
description binding site for residue EDO A 1207
source : AC7

41) chain A
residue 870
type
sequence R
description binding site for residue EDO A 1207
source : AC7

42) chain A
residue 875
type
sequence L
description binding site for residue EDO A 1208
source : AC8

43) chain A
residue 876
type
sequence K
description binding site for residue EDO A 1208
source : AC8

44) chain A
residue 878
type
sequence L
description binding site for residue EDO A 1208
source : AC8

45) chain A
residue 879
type
sequence H
description binding site for residue EDO A 1208
source : AC8

46) chain A
residue 885
type
sequence K
description binding site for residue EDO A 1208
source : AC8

47) chain A
residue 886
type
sequence Y
description binding site for residue EDO A 1208
source : AC8

48) chain A
residue 911
type
sequence R
description binding site for residue EDO A 1209
source : AC9

49) chain A
residue 915
type
sequence Q
description binding site for residue EDO A 1209
source : AC9

50) chain A
residue 1019
type
sequence E
description binding site for residue EDO A 1209
source : AC9

51) chain A
residue 1024
type
sequence C
description binding site for residue EDO A 1209
source : AC9

52) chain A
residue 1029
type
sequence S
description binding site for residue EDO A 1209
source : AC9

53) chain A
residue 917
type
sequence H
description binding site for residue EDO A 1210
source : AD1

54) chain A
residue 920
type
sequence R
description binding site for residue EDO A 1210
source : AD1

55) chain A
residue 996
type
sequence P
description binding site for residue EDO A 1210
source : AD1

56) chain A
residue 1054
type
sequence L
description binding site for residue EDO A 1210
source : AD1

57) chain A
residue 1055
type
sequence E
description binding site for residue EDO A 1210
source : AD1

58) chain A
residue 1059
type
sequence R
description binding site for residue EDO A 1210
source : AD1

59) chain A
residue 1080
type
sequence P
description binding site for residue EDO A 1210
source : AD1

60) chain B
residue 828
type
sequence L
description binding site for residue F3W B 1201
source : AD2

61) chain B
residue 853
type
sequence A
description binding site for residue F3W B 1201
source : AD2

62) chain B
residue 903
type
sequence E
description binding site for residue F3W B 1201
source : AD2

63) chain B
residue 904
type
sequence Y
description binding site for residue F3W B 1201
source : AD2

64) chain B
residue 905
type
sequence L
description binding site for residue F3W B 1201
source : AD2

65) chain B
residue 909
type
sequence C
description binding site for residue F3W B 1201
source : AD2

66) chain B
residue 911
type
sequence R
description binding site for residue F3W B 1201
source : AD2

67) chain B
residue 912
type
sequence D
description binding site for residue F3W B 1201
source : AD2

68) chain B
residue 953
type
sequence R
description binding site for residue F3W B 1201
source : AD2

69) chain B
residue 954
type
sequence N
description binding site for residue F3W B 1201
source : AD2

70) chain B
residue 956
type
sequence L
description binding site for residue F3W B 1201
source : AD2

71) chain B
residue 1011
type
sequence W
description binding site for residue PHU B 1202
source : AD3

72) chain B
residue 1030
type
sequence P
description binding site for residue PHU B 1202
source : AD3

73) chain B
residue 1037
type
sequence M
description binding site for residue PHU B 1202
source : AD3

74) chain B
residue 1059
type
sequence R
description binding site for residue PHU B 1202
source : AD3

75) chain B
residue 1060
type
sequence L
description binding site for residue PHU B 1202
source : AD3

76) chain B
residue 1078
type
sequence W
description binding site for residue PHU B 1202
source : AD3

77) chain B
residue 946
type
sequence V
description binding site for residue GOL B 1203
source : AD4

78) chain B
residue 948
type
sequence R
description binding site for residue GOL B 1203
source : AD4

79) chain B
residue 994
type
sequence Y
description binding site for residue GOL B 1203
source : AD4

80) chain B
residue 995
type
sequence A
description binding site for residue GOL B 1203
source : AD4

81) chain B
residue 998
type
sequence S
description binding site for residue GOL B 1203
source : AD4

82) chain B
residue 1004
type
sequence F
description binding site for residue GOL B 1203
source : AD4

83) chain B
residue 1008
type
sequence S
description binding site for residue GOL B 1203
source : AD4

84) chain B
residue 1009
type
sequence D
description binding site for residue GOL B 1203
source : AD4

85) chain B
residue 1012
type
sequence S
description binding site for residue GOL B 1203
source : AD4

86) chain B
residue 840
type
sequence R
description binding site for residue EDO B 1204
source : AD5

87) chain B
residue 847
type
sequence N
description binding site for residue EDO B 1204
source : AD5

88) chain B
residue 984
type
sequence R
description binding site for residue EDO B 1204
source : AD5

89) chain B
residue 834
type
sequence G
description binding site for residue EDO B 1205
source : AD6

90) chain B
residue 855
type
sequence K
description binding site for residue EDO B 1205
source : AD6

91) chain B
residue 846
type
sequence D
description binding site for residue EDO B 1206
source : AD7

92) chain B
residue 847
type
sequence N
description binding site for residue EDO B 1206
source : AD7

93) chain B
residue 863
type
sequence D
description binding site for residue EDO B 1206
source : AD7

94) chain B
residue 867
type
sequence D
description binding site for residue EDO B 1206
source : AD7

95) chain B
residue 870
type
sequence R
description binding site for residue EDO B 1206
source : AD7

96) chain B
residue 878
type
sequence L
description binding site for residue EDO B 1207
source : AD8

97) chain B
residue 879
type
sequence H
description binding site for residue EDO B 1207
source : AD8

98) chain B
residue 885
type
sequence K
description binding site for residue EDO B 1207
source : AD8

99) chain B
residue 886
type
sequence Y
description binding site for residue EDO B 1207
source : AD8

100) chain B
residue 911
type
sequence R
description binding site for residue EDO B 1208
source : AD9

101) chain B
residue 1019
type
sequence E
description binding site for residue EDO B 1208
source : AD9

102) chain B
residue 1024
type
sequence C
description binding site for residue EDO B 1208
source : AD9

103) chain B
residue 1029
type
sequence S
description binding site for residue EDO B 1208
source : AD9

104) chain B
residue 1029
type
sequence S
description binding site for residue EDO B 1209
source : AE1

105) chain B
residue 1031
type
sequence S
description binding site for residue EDO B 1209
source : AE1

106) chain B
residue 1032
type
sequence A
description binding site for residue EDO B 1209
source : AE1

107) chain B
residue 1035
type
sequence L
description binding site for residue EDO B 1209
source : AE1

108) chain A
residue 828-855
type prosite
sequence LGKGNFGSVELCRYDPLGDNTGALVAVK
description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGKGNFGSVElCrydplgdntgal......VAVK
source prosite : PS00107

109) chain A
residue 949
type ACT_SITE
sequence A
description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028
source Swiss-Prot : SWS_FT_FI1

110) chain B
residue 949
type ACT_SITE
sequence A
description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028
source Swiss-Prot : SWS_FT_FI1

111) chain A
residue 828
type BINDING
sequence L
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

112) chain A
residue 855
type BINDING
sequence K
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

113) chain B
residue 828
type BINDING
sequence L
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

114) chain B
residue 855
type BINDING
sequence K
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

115) chain A
residue 904
type MOD_RES
sequence Y
description Phosphotyrosine => ECO:0000269|PubMed:18250158
source Swiss-Prot : SWS_FT_FI3

116) chain A
residue 939
type MOD_RES
sequence Y
description Phosphotyrosine => ECO:0000269|PubMed:18250158
source Swiss-Prot : SWS_FT_FI3

117) chain B
residue 904
type MOD_RES
sequence Y
description Phosphotyrosine => ECO:0000269|PubMed:18250158
source Swiss-Prot : SWS_FT_FI3

118) chain B
residue 939
type MOD_RES
sequence Y
description Phosphotyrosine => ECO:0000269|PubMed:18250158
source Swiss-Prot : SWS_FT_FI3

119) chain A
residue 980
type MOD_RES
sequence Y
description Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:15831699
source Swiss-Prot : SWS_FT_FI4

120) chain A
residue 981
type MOD_RES
sequence Y
description Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:15831699
source Swiss-Prot : SWS_FT_FI4

121) chain B
residue 980
type MOD_RES
sequence Y
description Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:15831699
source Swiss-Prot : SWS_FT_FI4

122) chain B
residue 981
type MOD_RES
sequence Y
description Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:15831699
source Swiss-Prot : SWS_FT_FI4


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