eF-site ID 2bpm-ABCD
PDB Code 2bpm
Chain A, B, C, D

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Title STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529
Classification TRANSFERASE
Compound CELL DIVISION PROTEIN KINASE 2
Source (CCNA2_HUMAN)
Sequence A:  PLVDMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR
LDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKL
YLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLA
FCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPV
RTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEM
VTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDY
KPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRIS
AKAALAHPFFQDVTKPVPHLRL
B:  VPDYHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAIL
VDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQ
LVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRM
EHLVLKVLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAM
FLGELSLIDADPYLKYLPSVIAGAAFHLALYTVTGQSWPE
SLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYK
NSKYHGVSLLNPPETLNL
C:  DMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDT
ETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLV
FEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCH
SHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTY
THEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTR
RALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPS
FPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKA
ALAHPFFQDVTKPVPHLRL
D:  YHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDW
LVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVG
TAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHL
VLKVLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLG
ELSLIDADPYLKYLPSVIAGAAFHLALYTVTGQSWPESLI
RKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSK
YHGVSLLNPPETLNL
Description (1)  CELL DIVISION PROTEIN KINASE 2 (E.C.2.7.1.37), CYCLIN A2


Functional site

1) chain A
residue 256
type
ligand
sequence D
description BINDING SITE FOR RESIDUE SO4 A1300
source : AC1

2) chain A
residue 257
type
ligand
sequence E
description BINDING SITE FOR RESIDUE SO4 A1300
source : AC1

3) chain A
residue 260
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A1300
source : AC1

4) chain D
residue 410
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 D1433
source : AC2

5) chain D
residue 414
type
ligand
sequence K
description BINDING SITE FOR RESIDUE SO4 D1433
source : AC2

6) chain D
residue 423
type
ligand
sequence L
description BINDING SITE FOR RESIDUE SO4 D1433
source : AC2

7) chain A
residue 8
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 529 A1299
source : AC3

8) chain A
residue 10
type
ligand
sequence I
description BINDING SITE FOR RESIDUE 529 A1299
source : AC3

9) chain A
residue 31
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 529 A1299
source : AC3

10) chain A
residue 80
type
ligand
sequence F
description BINDING SITE FOR RESIDUE 529 A1299
source : AC3

11) chain A
residue 81
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 529 A1299
source : AC3

12) chain A
residue 82
type
ligand
sequence F
description BINDING SITE FOR RESIDUE 529 A1299
source : AC3

13) chain A
residue 83
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 529 A1299
source : AC3

14) chain A
residue 84
type
ligand
sequence H
description BINDING SITE FOR RESIDUE 529 A1299
source : AC3

15) chain A
residue 85
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE 529 A1299
source : AC3

16) chain A
residue 86
type
ligand
sequence D
description BINDING SITE FOR RESIDUE 529 A1299
source : AC3

17) chain A
residue 134
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 529 A1299
source : AC3

18) chain C
residue 8
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 529 C1299
source : AC4

19) chain C
residue 9
type
ligand
sequence K
description BINDING SITE FOR RESIDUE 529 C1299
source : AC4

20) chain C
residue 10
type
ligand
sequence I
description BINDING SITE FOR RESIDUE 529 C1299
source : AC4

21) chain C
residue 31
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 529 C1299
source : AC4

22) chain C
residue 80
type
ligand
sequence F
description BINDING SITE FOR RESIDUE 529 C1299
source : AC4

23) chain C
residue 81
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 529 C1299
source : AC4

24) chain C
residue 83
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 529 C1299
source : AC4

25) chain C
residue 84
type
ligand
sequence H
description BINDING SITE FOR RESIDUE 529 C1299
source : AC4

26) chain C
residue 85
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE 529 C1299
source : AC4

27) chain C
residue 86
type
ligand
sequence D
description BINDING SITE FOR RESIDUE 529 C1299
source : AC4

28) chain C
residue 134
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 529 C1299
source : AC4

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

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

31) chain B
residue 211-242
type prosite
ligand
sequence RAILVDWLVEVGEEYKLQNETLHLAVNYIDRF
description Cyclins signature. R-x(2)-[LIVMSA]-x(2)-[FYWS]-[LIVM]-x(8)-[LIVMFC]-x(4)-[LIVMFYA]-x(2)
source prosite : PS00292

32) chain D
residue 211-242
type prosite
ligand
sequence RAILVDWLVEVGEEYKLQNETLHLAVNYIDRF
description Cyclins signature. R-x(2)-[LIVMSA]-x(2)-[FYWS]-[LIVM]-x(8)-[LIVMFC]-x(4)-[LIVMFYA]-x(2)
source prosite : PS00292

33) chain A
residue 8-10
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence EKI
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_A_1299

34) chain A
residue 18
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence V
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_A_1299

35) chain A
residue 20
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence K
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_A_1299

36) chain A
residue 31
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence A
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_A_1299

37) chain A
residue 33
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence K
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_A_1299

38) chain A
residue 64
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence V
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_A_1299

39) chain A
residue 80-86
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence FEFLHQD
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_A_1299

40) chain A
residue 89
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence K
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_A_1299

41) chain A
residue 134
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence L
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_A_1299

42) chain C
residue 8-10
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence EKI
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_C_1299

43) chain C
residue 18
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence V
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_C_1299

44) chain C
residue 20
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence K
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_C_1299

45) chain C
residue 31
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence A
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_C_1299

46) chain C
residue 33
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence K
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_C_1299

47) chain C
residue 64
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence V
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_C_1299

48) chain C
residue 80-86
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence FEFLHQD
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_C_1299

49) chain C
residue 89
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence K
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_C_1299

50) chain C
residue 134
type binding
ligand 529: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE
sequence L
description (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE binding site
source pdb_hetatom : 529_2bpm_C_1299

51) chain A
residue 131
type catalytic
ligand
sequence Q
description Annotated By Reference To The Literature 1ir3
source CSA : CSA1

52) chain A
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA1

53) chain C
residue 131
type catalytic
ligand
sequence Q
description Annotated By Reference To The Literature 1ir3
source CSA : CSA2

54) chain C
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA2

55) chain A
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA3

56) chain A
residue 129
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA3

57) chain C
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA4

58) chain C
residue 129
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA4

59) chain A
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA5

60) chain A
residue 129
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA5

61) chain A
residue 165
type catalytic
ligand
sequence T
description Annotated By Reference To The Literature 1ir3
source CSA : CSA5

62) chain C
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA6

63) chain C
residue 129
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA6

64) chain C
residue 165
type catalytic
ligand
sequence T
description Annotated By Reference To The Literature 1ir3
source CSA : CSA6

65) chain A
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA7

66) chain A
residue 129
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA7

67) chain A
residue 132
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1ir3
source CSA : CSA7

68) chain C
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA8

69) chain C
residue 129
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA8

70) chain C
residue 132
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1ir3
source CSA : CSA8


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