eF-site ID 2xru-A
PDB Code 2xru
Chain A

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Title AURORA-A T288E COMPLEXED WITH PHA-828300
Classification TRANSFERASE
Compound SERINE/THREONINE-PROTEIN KINASE 6
Source (STK6_HUMAN)
Sequence A:  RQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLF
KAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATR
VYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALS
YCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVCGTLDY
LPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQ
ETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLR
EVLEHPWITANSSK
Description (1)  SERINE/THREONINE-PROTEIN KINASE 6 (E.C.2.7.11.1)


Functional site

1) chain A
residue 137
type
ligand
sequence R
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

2) chain A
residue 139
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

3) chain A
residue 160
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

4) chain A
residue 162
type
ligand
sequence K
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

5) chain A
residue 194
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

6) chain A
residue 210
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

7) chain A
residue 211
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

8) chain A
residue 212
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

9) chain A
residue 213
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

10) chain A
residue 214
type
ligand
sequence P
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

11) chain A
residue 215
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

12) chain A
residue 216
type
ligand
sequence G
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

13) chain A
residue 224
type
ligand
sequence K
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

14) chain A
residue 260
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

15) chain A
residue 261
type
ligand
sequence N
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

16) chain A
residue 263
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

17) chain A
residue 274
type
ligand
sequence D
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

18) chain A
residue 366
type
ligand
sequence H
description BINDING SITE FOR RESIDUE 400 A 1389
source : AC1

19) chain A
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

20) chain A
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

21) chain A
residue 137
type binding
ligand 400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
sequence R
description 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE binding site
source pdb_hetatom : 400_2xru_A_1389

22) chain A
residue 139-142
type binding
ligand 400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
sequence LGKG
description 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE binding site
source pdb_hetatom : 400_2xru_A_1389

23) chain A
residue 145-147
type binding
ligand 400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
sequence GNV
description 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE binding site
source pdb_hetatom : 400_2xru_A_1389

24) chain A
residue 160
type binding
ligand 400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
sequence A
description 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE binding site
source pdb_hetatom : 400_2xru_A_1389

25) chain A
residue 162
type binding
ligand 400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
sequence K
description 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE binding site
source pdb_hetatom : 400_2xru_A_1389

26) chain A
residue 164
type binding
ligand 400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
sequence L
description 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE binding site
source pdb_hetatom : 400_2xru_A_1389

27) chain A
residue 194
type binding
ligand 400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
sequence L
description 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE binding site
source pdb_hetatom : 400_2xru_A_1389

28) chain A
residue 210-217
type binding
ligand 400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
sequence LEYAPLGT
description 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE binding site
source pdb_hetatom : 400_2xru_A_1389

29) chain A
residue 220
type binding
ligand 400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
sequence R
description 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE binding site
source pdb_hetatom : 400_2xru_A_1389

30) chain A
residue 224
type binding
ligand 400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
sequence K
description 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE binding site
source pdb_hetatom : 400_2xru_A_1389

31) chain A
residue 260-261
type binding
ligand 400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
sequence EN
description 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE binding site
source pdb_hetatom : 400_2xru_A_1389

32) chain A
residue 263
type binding
ligand 400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
sequence L
description 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE binding site
source pdb_hetatom : 400_2xru_A_1389

33) chain A
residue 273-274
type binding
ligand 400: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
sequence AD
description 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE binding site
source pdb_hetatom : 400_2xru_A_1389


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