eF-site ID 1uu8-A
PDB Code 1uu8
Chain A

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Title Structure of human PDK1 kinase domain in complex with BIM-1
Classification TRANSFERASE
Compound 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1
Source (PDPK_HUMAN)
Sequence A:  PQPRKKRPEDFKFGKILGEGSFSTVVLARELATSREYAIK
ILEKRHIIKENKVPYVTRERDVMSRLDHPFFVKLYFTFQD
DEKLYFGLSYAKNGELLKYIRKIGSFDETCTRFYTAEIVS
ALEYLHGKGIIHRDLKPENILLNEDMHIQITDFGTAKVLS
NXFVGTAQYVSPELLTEKSACKSSDLWALGCIIYQLVAGL
PPFRAGNEYLIFQKIIKLEYDFPEKFFPKARDLVEKLLVL
DATKRLGCEEMEGYGPLKAHPFFESVTWENLHQQTPPKL
Description (1)  3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1 (E.C.2.7.1.37)


Functional site

1) chain A
residue 146
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE SO4 A1365
source : AC1

2) chain A
residue 160
type
ligand
sequence S
description BINDING SITE FOR RESIDUE SO4 A1365
source : AC1

3) chain A
residue 220
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE SO4 A1365
source : AC1

4) chain A
residue 106
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A1366
source : AC2

5) chain A
residue 140
type
ligand
sequence P
description BINDING SITE FOR RESIDUE SO4 A1366
source : AC2

6) chain A
residue 351
type
ligand
sequence H
description BINDING SITE FOR RESIDUE SO4 A1366
source : AC2

7) chain A
residue 91
type
ligand
sequence G
description BINDING SITE FOR RESIDUE SO4 A1367
source : AC3

8) chain A
residue 92
type
ligand
sequence S
description BINDING SITE FOR RESIDUE SO4 A1367
source : AC3

9) chain A
residue 93
type
ligand
sequence F
description BINDING SITE FOR RESIDUE SO4 A1367
source : AC3

10) chain A
residue 94
type
ligand
sequence S
description BINDING SITE FOR RESIDUE SO4 A1367
source : AC3

11) chain A
residue 88
type
ligand
sequence L
description BINDING SITE FOR RESIDUE BI1 A1368
source : AC4

12) chain A
residue 89
type
ligand
sequence G
description BINDING SITE FOR RESIDUE BI1 A1368
source : AC4

13) chain A
residue 109
type
ligand
sequence A
description BINDING SITE FOR RESIDUE BI1 A1368
source : AC4

14) chain A
residue 143
type
ligand
sequence V
description BINDING SITE FOR RESIDUE BI1 A1368
source : AC4

15) chain A
residue 159
type
ligand
sequence L
description BINDING SITE FOR RESIDUE BI1 A1368
source : AC4

16) chain A
residue 160
type
ligand
sequence S
description BINDING SITE FOR RESIDUE BI1 A1368
source : AC4

17) chain A
residue 161
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE BI1 A1368
source : AC4

18) chain A
residue 162
type
ligand
sequence A
description BINDING SITE FOR RESIDUE BI1 A1368
source : AC4

19) chain A
residue 166
type
ligand
sequence E
description BINDING SITE FOR RESIDUE BI1 A1368
source : AC4

20) chain A
residue 209
type
ligand
sequence E
description BINDING SITE FOR RESIDUE BI1 A1368
source : AC4

21) chain A
residue 212
type
ligand
sequence L
description BINDING SITE FOR RESIDUE BI1 A1368
source : AC4

22) chain A
residue 222
type
ligand
sequence T
description BINDING SITE FOR RESIDUE BI1 A1368
source : AC4

23) chain A
residue 223
type
ligand
sequence D
description BINDING SITE FOR RESIDUE BI1 A1368
source : AC4

24) chain A
residue 76
type
ligand
sequence K
description BINDING SITE FOR RESIDUE GOL A1358
source : AC5

25) chain A
residue 131
type
ligand
sequence R
description BINDING SITE FOR RESIDUE GOL A1358
source : AC5

26) chain A
residue 148
type
ligand
sequence T
description BINDING SITE FOR RESIDUE GOL A1358
source : AC5

27) chain A
residue 149
type
ligand
sequence F
description BINDING SITE FOR RESIDUE GOL A1358
source : AC5

28) chain A
residue 150
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE GOL A1358
source : AC5

29) chain A
residue 155
type
ligand
sequence L
description BINDING SITE FOR RESIDUE GOL A1358
source : AC5

30) chain A
residue 79
type
ligand
sequence P
description BINDING SITE FOR RESIDUE GOL A1359
source : AC6

31) chain A
residue 154
type
ligand
sequence K
description BINDING SITE FOR RESIDUE GOL A1359
source : AC6

32) chain A
residue 156
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE GOL A1359
source : AC6

33) chain A
residue 328
type
ligand
sequence E
description BINDING SITE FOR RESIDUE GOL A1359
source : AC6

34) chain A
residue 331
type
ligand
sequence E
description BINDING SITE FOR RESIDUE GOL A1359
source : AC6

35) chain A
residue 332
type
ligand
sequence G
description BINDING SITE FOR RESIDUE GOL A1359
source : AC6

36) chain A
residue 94
type
ligand
sequence S
description BINDING SITE FOR RESIDUE GOL A1360
source : AC7

37) chain A
residue 96
type
ligand
sequence V
description BINDING SITE FOR RESIDUE GOL A1360
source : AC7

38) chain A
residue 111
type
ligand
sequence K
description BINDING SITE FOR RESIDUE GOL A1360
source : AC7

39) chain A
residue 297
type
ligand
sequence L
description BINDING SITE FOR RESIDUE GOL A1361
source : AC8

40) chain A
residue 299
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE GOL A1361
source : AC8

41) chain A
residue 301
type
ligand
sequence F
description BINDING SITE FOR RESIDUE GOL A1361
source : AC8

42) chain A
residue 310
type
ligand
sequence R
description BINDING SITE FOR RESIDUE GOL A1361
source : AC8

43) chain A
residue 83
type
ligand
sequence K
description BINDING SITE FOR RESIDUE GOL A1362
source : AC9

44) chain A
residue 84
type
ligand
sequence F
description BINDING SITE FOR RESIDUE GOL A1362
source : AC9

45) chain A
residue 194
type
ligand
sequence E
description BINDING SITE FOR RESIDUE GOL A1362
source : AC9

46) chain A
residue 334
type
ligand
sequence G
description BINDING SITE FOR RESIDUE GOL A1362
source : AC9

47) chain A
residue 337
type
ligand
sequence K
description BINDING SITE FOR RESIDUE GOL A1362
source : AC9

48) chain A
residue 106
type
ligand
sequence R
description BINDING SITE FOR RESIDUE GOL A1363
source : BC1

49) chain A
residue 107
type
ligand
sequence E
description BINDING SITE FOR RESIDUE GOL A1363
source : BC1

50) chain A
residue 108
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE GOL A1363
source : BC1

51) chain A
residue 160
type
ligand
sequence S
description BINDING SITE FOR RESIDUE GOL A1363
source : BC1

52) chain A
residue 161
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE GOL A1363
source : BC1

53) chain A
residue 103
type
ligand
sequence A
description BINDING SITE FOR RESIDUE GOL A1364
source : BC2

54) chain A
residue 104
type
ligand
sequence T
description BINDING SITE FOR RESIDUE GOL A1364
source : BC2

55) chain A
residue 105
type
ligand
sequence S
description BINDING SITE FOR RESIDUE GOL A1364
source : BC2

56) chain A
residue 139
type
ligand
sequence H
description BINDING SITE FOR RESIDUE GOL A1364
source : BC2

57) chain A
residue 191
type
ligand
sequence S
description BINDING SITE FOR RESIDUE GOL A1364
source : BC2

58) chain A
residue 347
type
ligand
sequence W
description BINDING SITE FOR RESIDUE GOL A1364
source : BC2

59) chain A
residue 349
type
ligand
sequence N
description BINDING SITE FOR RESIDUE GOL A1364
source : BC2

60) chain A
residue 350
type
ligand
sequence L
description BINDING SITE FOR RESIDUE GOL A1364
source : BC2

61) chain A
residue 351
type
ligand
sequence H
description BINDING SITE FOR RESIDUE GOL A1364
source : BC2

62) chain A
residue 149
type catalytic
ligand
sequence F
description Mapped from 2phk to 1uu8 using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892
source extCATRES : extCATRES1

63) chain A
residue 151
type catalytic
ligand
sequence D
description Mapped from 2phk to 1uu8 using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892
source extCATRES : extCATRES1

64) chain A
residue 201-213
type prosite
ligand
sequence IIHRDLKPENILL
description Serine/Threonine protein kinases active-site signature. [LIVMFYC]-x-[HY]-x-D-[LIVMFY]-K-x(2)-N-[LIVMFYCT](3)
source prosite : PS00108

65) chain A
residue 88-111
type prosite
ligand
sequence LGEGSFSTVVLARELATSREYAIK
description Protein kinases ATP-binding region signature. [LIV]-G-{P}-G-{P}-[FYWMGSTNH]-[SGA]-{PW}-[LIVCAT]-{PD}-x-[GSTACLIVMFY]
source prosite : PS00107

66) chain A
residue 76
type binding
ligand GOL: GLYCEROL
sequence K
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1358

67) chain A
residue 131
type binding
ligand GOL: GLYCEROL
sequence R
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1358

68) chain A
residue 148-150
type binding
ligand GOL: GLYCEROL
sequence TFQ
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1358

69) chain A
residue 155
type binding
ligand GOL: GLYCEROL
sequence L
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1358

70) chain A
residue 157
type binding
ligand GOL: GLYCEROL
sequence F
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1358

71) chain A
residue 79
type binding
ligand GOL: GLYCEROL
sequence P
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1359

72) chain A
residue 84
type binding
ligand GOL: GLYCEROL
sequence F
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1359

73) chain A
residue 112
type binding
ligand GOL: GLYCEROL
sequence I
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1359

74) chain A
residue 154
type binding
ligand GOL: GLYCEROL
sequence K
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1359

75) chain A
residue 156
type binding
ligand GOL: GLYCEROL
sequence Y
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1359

76) chain A
residue 82-84
type binding
ligand GOL: GLYCEROL
sequence FKF
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1362

77) chain A
residue 88-89
type binding
ligand BI1: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
sequence LG
description 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE binding site
source pdb_hetatom : BI1_1uu8_A_1368

78) chain A
residue 96
type binding
ligand BI1: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
sequence V
description 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE binding site
source pdb_hetatom : BI1_1uu8_A_1368

79) chain A
residue 109
type binding
ligand BI1: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
sequence A
description 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE binding site
source pdb_hetatom : BI1_1uu8_A_1368

80) chain A
residue 111
type binding
ligand BI1: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
sequence K
description 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE binding site
source pdb_hetatom : BI1_1uu8_A_1368

81) chain A
residue 130
type binding
ligand BI1: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
sequence E
description 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE binding site
source pdb_hetatom : BI1_1uu8_A_1368

82) chain A
residue 143
type binding
ligand BI1: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
sequence V
description 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE binding site
source pdb_hetatom : BI1_1uu8_A_1368

83) chain A
residue 159-162
type binding
ligand BI1: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
sequence LSYA
description 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE binding site
source pdb_hetatom : BI1_1uu8_A_1368

84) chain A
residue 165-166
type binding
ligand BI1: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
sequence GE
description 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE binding site
source pdb_hetatom : BI1_1uu8_A_1368

85) chain A
residue 209-210
type binding
ligand BI1: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
sequence EN
description 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE binding site
source pdb_hetatom : BI1_1uu8_A_1368

86) chain A
residue 212
type binding
ligand BI1: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
sequence L
description 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE binding site
source pdb_hetatom : BI1_1uu8_A_1368

87) chain A
residue 222-223
type binding
ligand BI1: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
sequence TD
description 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE binding site
source pdb_hetatom : BI1_1uu8_A_1368

88) chain A
residue 89-91
type binding
ligand GOL: GLYCEROL
sequence GEG
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1360

89) chain A
residue 94-96
type binding
ligand GOL: GLYCEROL
sequence STV
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1360

90) chain A
residue 111
type binding
ligand GOL: GLYCEROL
sequence K
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1360

91) chain A
residue 223
type binding
ligand GOL: GLYCEROL
sequence D
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1360

92) chain A
residue 106-108
type binding
ligand GOL: GLYCEROL
sequence REY
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1363

93) chain A
residue 146
type binding
ligand GOL: GLYCEROL
sequence Y
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1363

94) chain A
residue 159-161
type binding
ligand GOL: GLYCEROL
sequence LSY
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1363

95) chain A
residue 139-141
type binding
ligand GOL: GLYCEROL
sequence HPF
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1364

96) chain A
residue 191
type binding
ligand GOL: GLYCEROL
sequence S
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1364

97) chain A
residue 347-352
type binding
ligand GOL: GLYCEROL
sequence WENLHQ
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1364

98) chain A
residue 297-301
type binding
ligand GOL: GLYCEROL
sequence LEYDF
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1361

99) chain A
residue 310
type binding
ligand GOL: GLYCEROL
sequence R
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1361

100) chain A
residue 314
type binding
ligand GOL: GLYCEROL
sequence E
description GLYCEROL binding site
source pdb_hetatom : GOL_1uu8_A_1361

101) chain A
residue 209
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 1ir3
source CSA : CSA1

102) chain A
residue 205
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA1

103) chain A
residue 207
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA2

104) chain A
residue 205
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA2

105) chain A
residue 207
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA3

106) chain A
residue 245
type catalytic
ligand
sequence T
description Annotated By Reference To The Literature 1ir3
source CSA : CSA3

107) chain A
residue 205
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA3

108) chain A
residue 207
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA4

109) chain A
residue 210
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1ir3
source CSA : CSA4

110) chain A
residue 205
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA4


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