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

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Title Structural basis for the chemical rescue of Src kinase activity
Classification TRANSFERASE
Compound Proto-oncogene tyrosine-protein kinase Src
Source Gallus gallus (Chicken) (SRC_CHICK)
Sequence A:  GHMQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWN
GTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYA
VVSEEPIYIVTEYMSKGSLLDFLKGEMGKYLRLPQLVDMA
AQIASGMAYVERMNYVHRDLAAANILVGENLVCKVADFGL
ARLPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRV
PYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRK
DPEERPTFEYLQAFLEDYFTSTEPQYQPGENL
B:  GHMQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWN
GTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYA
VVSEEPIYIVTEYMSKGSLLDFLKGEMGKYLRLPQLVDMA
AQIASGMAYVERMNYVHRDLAAANILVGENLVCKVADFGL
ARLIPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGR
VPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWR
KDPEERPTFEYLQAFLEDYFTSTEPQYQPGENL
Description (1)  Proto-oncogene tyrosine-protein kinase Src (E.C.2.7.10.2)


Functional site

1) chain A
residue 273
type
ligand
sequence L
description BINDING SITE FOR RESIDUE PP2 A 1
source : AC1

2) chain A
residue 281
type
ligand
sequence V
description BINDING SITE FOR RESIDUE PP2 A 1
source : AC1

3) chain A
residue 293
type
ligand
sequence A
description BINDING SITE FOR RESIDUE PP2 A 1
source : AC1

4) chain A
residue 295
type
ligand
sequence K
description BINDING SITE FOR RESIDUE PP2 A 1
source : AC1

5) chain A
residue 314
type
ligand
sequence M
description BINDING SITE FOR RESIDUE PP2 A 1
source : AC1

6) chain A
residue 338
type
ligand
sequence T
description BINDING SITE FOR RESIDUE PP2 A 1
source : AC1

7) chain A
residue 339
type
ligand
sequence E
description BINDING SITE FOR RESIDUE PP2 A 1
source : AC1

8) chain A
residue 341
type
ligand
sequence M
description BINDING SITE FOR RESIDUE PP2 A 1
source : AC1

9) chain A
residue 345
type
ligand
sequence S
description BINDING SITE FOR RESIDUE PP2 A 1
source : AC1

10) chain A
residue 393
type
ligand
sequence L
description BINDING SITE FOR RESIDUE PP2 A 1
source : AC1

11) chain B
residue 273
type
ligand
sequence L
description BINDING SITE FOR RESIDUE PP2 B 2
source : AC2

12) chain B
residue 281
type
ligand
sequence V
description BINDING SITE FOR RESIDUE PP2 B 2
source : AC2

13) chain B
residue 293
type
ligand
sequence A
description BINDING SITE FOR RESIDUE PP2 B 2
source : AC2

14) chain B
residue 295
type
ligand
sequence K
description BINDING SITE FOR RESIDUE PP2 B 2
source : AC2

15) chain B
residue 314
type
ligand
sequence M
description BINDING SITE FOR RESIDUE PP2 B 2
source : AC2

16) chain B
residue 338
type
ligand
sequence T
description BINDING SITE FOR RESIDUE PP2 B 2
source : AC2

17) chain B
residue 339
type
ligand
sequence E
description BINDING SITE FOR RESIDUE PP2 B 2
source : AC2

18) chain B
residue 341
type
ligand
sequence M
description BINDING SITE FOR RESIDUE PP2 B 2
source : AC2

19) chain B
residue 345
type
ligand
sequence S
description BINDING SITE FOR RESIDUE PP2 B 2
source : AC2

20) chain B
residue 393
type
ligand
sequence L
description BINDING SITE FOR RESIDUE PP2 B 2
source : AC2

21) chain A
residue 382-394
type prosite
ligand
sequence YVHRDLAAANILV
description Tyrosine protein kinases specific active-site signature. [LIVMFYC]-{A}-[HY]-x-D-[LIVMFY]-[RSTAC]-{D}-{PF}-N-[LIVMFYC](3)
source prosite : PS00109

22) chain B
residue 382-394
type prosite
ligand
sequence YVHRDLAAANILV
description Tyrosine protein kinases specific active-site signature. [LIVMFYC]-{A}-[HY]-x-D-[LIVMFY]-[RSTAC]-{D}-{PF}-N-[LIVMFYC](3)
source prosite : PS00109

23) chain A
residue 273-295
type prosite
ligand
sequence LGQGCFGEVWMGTWNGTTRVAIK
description Protein kinases ATP-binding region signature. [LIV]-G-{P}-G-{P}-[FYWMGSTNH]-[SGA]-{PW}-[LIVCAT]-{PD}-x-[GSTACLIVMFY]
source prosite : PS00107

24) chain B
residue 273-295
type prosite
ligand
sequence LGQGCFGEVWMGTWNGTTRVAIK
description Protein kinases ATP-binding region signature. [LIV]-G-{P}-G-{P}-[FYWMGSTNH]-[SGA]-{PW}-[LIVCAT]-{PD}-x-[GSTACLIVMFY]
source prosite : PS00107

25) chain A
residue 273-274
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence LG
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_A_1

26) chain A
residue 281
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence V
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_A_1

27) chain A
residue 293
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence A
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_A_1

28) chain A
residue 295
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence K
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_A_1

29) chain A
residue 310
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence E
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_A_1

30) chain A
residue 314
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence M
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_A_1

31) chain A
residue 323
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence V
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_A_1

32) chain A
residue 336
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence I
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_A_1

33) chain A
residue 338-341
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence TEYM
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_A_1

34) chain A
residue 344-345
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence GS
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_A_1

35) chain A
residue 393
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence L
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_A_1

36) chain A
residue 403-404
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence AD
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_A_1

37) chain B
residue 273-274
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence LG
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_B_2

38) chain B
residue 281
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence V
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_B_2

39) chain B
residue 293-295
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence AIK
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_B_2

40) chain B
residue 310
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence E
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_B_2

41) chain B
residue 314
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence M
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_B_2

42) chain B
residue 323
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence V
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_B_2

43) chain B
residue 336
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence I
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_B_2

44) chain B
residue 338-341
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence TEYM
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_B_2

45) chain B
residue 344-345
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence GS
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_B_2

46) chain B
residue 393
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence L
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_B_2

47) chain B
residue 403-404
type binding
ligand PP2: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
sequence AD
description 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE binding site
source pdb_hetatom : PP2_3geq_B_2

48) chain A
residue 386
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA1

49) chain A
residue 390
type catalytic
ligand
sequence A
description Annotated By Reference To The Literature 1ir3
source CSA : CSA1

50) chain B
residue 386
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA2

51) chain B
residue 390
type catalytic
ligand
sequence A
description Annotated By Reference To The Literature 1ir3
source CSA : CSA2

52) chain A
residue 388
type catalytic
ligand
sequence A
description Annotated By Reference To The Literature 1ir3
source CSA : CSA3

53) chain A
residue 386
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA3

54) chain B
residue 388
type catalytic
ligand
sequence A
description Annotated By Reference To The Literature 1ir3
source CSA : CSA4

55) chain B
residue 386
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA4

56) chain A
residue 388
type catalytic
ligand
sequence A
description Annotated By Reference To The Literature 1ir3
source CSA : CSA5

57) chain A
residue 391
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1ir3
source CSA : CSA5

58) chain A
residue 386
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA5

59) chain B
residue 388
type catalytic
ligand
sequence A
description Annotated By Reference To The Literature 1ir3
source CSA : CSA6

60) chain B
residue 391
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1ir3
source CSA : CSA6

61) chain B
residue 386
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA6


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