eF-site ID 2j4z-B
PDB Code 2j4z
Chain B

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Title Structure of Aurora-2 in complex with PHA-680626
Classification TRANSFERASE
Compound SERINE THREONINE-PROTEIN KINASE 6
Source (STK6_HUMAN)
Sequence B:  RQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLF
KAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATR
VYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALS
YCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSR
RTTLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVG
KPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLK
HNPSQRPMLREVLEHPWITANSSKPSNCQN
Description (1)  SERINE THREONINE-PROTEIN KINASE 6 (E.C.2.7.1.37, 2.7.11.1)


Functional site

1) chain B
residue 160
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 626 B 1395
source : AC4

2) chain B
residue 194
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 626 B 1395
source : AC4

3) chain B
residue 210
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 626 B 1395
source : AC4

4) chain B
residue 211
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 626 B 1395
source : AC4

5) chain B
residue 212
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE 626 B 1395
source : AC4

6) chain B
residue 213
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 626 B 1395
source : AC4

7) chain B
residue 214
type
ligand
sequence P
description BINDING SITE FOR RESIDUE 626 B 1395
source : AC4

8) chain B
residue 216
type
ligand
sequence G
description BINDING SITE FOR RESIDUE 626 B 1395
source : AC4

9) chain B
residue 220
type
ligand
sequence R
description BINDING SITE FOR RESIDUE 626 B 1395
source : AC4

10) chain B
residue 260
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 626 B 1395
source : AC4

11) chain B
residue 263
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 626 B 1395
source : AC4

12) chain B
residue 273
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 626 B 1395
source : AC4

13) chain B
residue 280
type
ligand
sequence H
description BINDING SITE FOR RESIDUE 626 B 1395
source : AC4

14) chain B
residue 247
type
ligand
sequence C
description BINDING SITE FOR RESIDUE ARS B 1396
source : AC5

15) chain B
residue 255
type
ligand
sequence R
description BINDING SITE FOR RESIDUE ARS B 1396
source : AC5

16) chain B
residue 252-264
type prosite
ligand
sequence VIHRDIKPENLLL
description Serine/Threonine protein kinases active-site signature. [LIVMFYC]-x-[HY]-x-D-[LIVMFY]-K-x(2)-N-[LIVMFYCT](3)
source prosite : PS00108

17) chain B
residue 139-162
type prosite
ligand
sequence LGKGKFGNVYLAREKQSKFILALK
description Protein kinases ATP-binding region signature. [LIV]-G-{P}-G-{P}-[FYWMGSTNH]-[SGA]-{PW}-[LIVCAT]-{PD}-x-[GSTACLIVMFY]
source prosite : PS00107

18) chain B
residue 139
type binding
ligand 626: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE
sequence L
description 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE binding site
source pdb_hetatom : 626_2j4z_B_1395

19) chain B
residue 147
type binding
ligand 626: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE
sequence V
description 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE binding site
source pdb_hetatom : 626_2j4z_B_1395

20) chain B
residue 160
type binding
ligand 626: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE
sequence A
description 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE binding site
source pdb_hetatom : 626_2j4z_B_1395

21) chain B
residue 162
type binding
ligand 626: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE
sequence K
description 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE binding site
source pdb_hetatom : 626_2j4z_B_1395

22) chain B
residue 194
type binding
ligand 626: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE
sequence L
description 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE binding site
source pdb_hetatom : 626_2j4z_B_1395

23) chain B
residue 210-217
type binding
ligand 626: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE
sequence LEYAPLGT
description 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE binding site
source pdb_hetatom : 626_2j4z_B_1395

24) chain B
residue 220
type binding
ligand 626: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE
sequence R
description 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE binding site
source pdb_hetatom : 626_2j4z_B_1395

25) chain B
residue 224
type binding
ligand 626: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE
sequence K
description 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE binding site
source pdb_hetatom : 626_2j4z_B_1395

26) chain B
residue 260-261
type binding
ligand 626: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE
sequence EN
description 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE binding site
source pdb_hetatom : 626_2j4z_B_1395

27) chain B
residue 263
type binding
ligand 626: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE
sequence L
description 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE binding site
source pdb_hetatom : 626_2j4z_B_1395

28) chain B
residue 273
type binding
ligand 626: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE
sequence A
description 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE binding site
source pdb_hetatom : 626_2j4z_B_1395

29) chain B
residue 279-280
type binding
ligand 626: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE
sequence VH
description 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE binding site
source pdb_hetatom : 626_2j4z_B_1395

30) chain B
residue 256
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA2

31) chain B
residue 260
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 1ir3
source CSA : CSA2

32) chain B
residue 258
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA4

33) chain B
residue 256
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA4

34) chain B
residue 292
type catalytic
ligand
sequence T
description Annotated By Reference To The Literature 1ir3
source CSA : CSA6

35) chain B
residue 258
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA6

36) chain B
residue 256
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA6

37) chain B
residue 258
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA8

38) chain B
residue 261
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1ir3
source CSA : CSA8

39) chain B
residue 256
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA8


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