eF-site ID 2c4g-ABCD
PDB Code 2c4g
Chain A, B, C, D

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Title STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514
Classification TRANSFERASE
Compound CELL DIVISION PROTEIN KINASE 2
Source (CCNA2_HUMAN)
Sequence A:  PLVDMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR
LDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKL
YLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLA
FCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPV
RTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEM
VTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDY
KPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRIS
AKAALAHPFFQDVTKPVPHLR
B:  VPDYHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAIL
VDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQ
LVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRM
EHLVLKVLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAM
FLGELSLIDADPYLKYLPSVIAGAAFHLALYTVTGQSWPE
SLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYK
NSKYHGVSLLNPPETLNL
C:  VDMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLD
TETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYL
VFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFC
HSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRT
YTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVT
RRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKP
SFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAK
AALAHPFFQDVTKPVPHLRL
D:  VPDYHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAIL
VDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQ
LVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRM
EHLVLKVLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAM
FLGELSLIDADPYLKYLPSVIAGAAFHLALYTVTGQSWPE
SLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYK
NSKYHGVSLLNPPETLNL
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 A 305
source : AC1

2) chain A
residue 257
type
ligand
sequence E
description BINDING SITE FOR RESIDUE SO4 A 305
source : AC1

3) chain A
residue 260
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 305
source : AC1

4) chain D
residue 410
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 D 433
source : AC2

5) chain D
residue 414
type
ligand
sequence K
description BINDING SITE FOR RESIDUE SO4 D 433
source : AC2

6) chain A
residue 10
type
ligand
sequence I
description BINDING SITE FOR RESIDUE 514 A 306
source : AC3

7) chain A
residue 31
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 514 A 306
source : AC3

8) chain A
residue 33
type
ligand
sequence K
description BINDING SITE FOR RESIDUE 514 A 306
source : AC3

9) chain A
residue 80
type
ligand
sequence F
description BINDING SITE FOR RESIDUE 514 A 306
source : AC3

10) chain A
residue 81
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 514 A 306
source : AC3

11) chain A
residue 82
type
ligand
sequence F
description BINDING SITE FOR RESIDUE 514 A 306
source : AC3

12) chain A
residue 83
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 514 A 306
source : AC3

13) chain A
residue 84
type
ligand
sequence H
description BINDING SITE FOR RESIDUE 514 A 306
source : AC3

14) chain A
residue 85
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE 514 A 306
source : AC3

15) chain A
residue 86
type
ligand
sequence D
description BINDING SITE FOR RESIDUE 514 A 306
source : AC3

16) chain A
residue 89
type
ligand
sequence K
description BINDING SITE FOR RESIDUE 514 A 306
source : AC3

17) chain A
residue 134
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 514 A 306
source : AC3

18) chain C
residue 10
type
ligand
sequence I
description BINDING SITE FOR RESIDUE 514 C 306
source : AC4

19) chain C
residue 31
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 514 C 306
source : AC4

20) chain C
residue 33
type
ligand
sequence K
description BINDING SITE FOR RESIDUE 514 C 306
source : AC4

21) chain C
residue 80
type
ligand
sequence F
description BINDING SITE FOR RESIDUE 514 C 306
source : AC4

22) chain C
residue 81
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 514 C 306
source : AC4

23) chain C
residue 82
type
ligand
sequence F
description BINDING SITE FOR RESIDUE 514 C 306
source : AC4

24) chain C
residue 83
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 514 C 306
source : AC4

25) chain C
residue 84
type
ligand
sequence H
description BINDING SITE FOR RESIDUE 514 C 306
source : AC4

26) chain C
residue 85
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE 514 C 306
source : AC4

27) chain C
residue 86
type
ligand
sequence D
description BINDING SITE FOR RESIDUE 514 C 306
source : AC4

28) chain C
residue 134
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 514 C 306
source : AC4

29) chain A
residue 149
type catalytic
ligand
sequence A
description Mapped from 2phk to 2c4g 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 2c4g 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 10
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence I
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_A_306

34) chain A
residue 18
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence V
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_A_306

35) chain A
residue 31
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence A
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_A_306

36) chain A
residue 33
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence K
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_A_306

37) chain A
residue 51
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence E
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_A_306

38) chain A
residue 64
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence V
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_A_306

39) chain A
residue 80-86
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence FEFLHQD
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_A_306

40) chain A
residue 89
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence K
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_A_306

41) chain A
residue 134
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence L
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_A_306

42) chain A
residue 144-145
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence AD
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_A_306

43) chain C
residue 10
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence I
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_C_306

44) chain C
residue 18
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence V
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_C_306

45) chain C
residue 31
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence A
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_C_306

46) chain C
residue 33
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence K
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_C_306

47) chain C
residue 51
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence E
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_C_306

48) chain C
residue 64
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence V
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_C_306

49) chain C
residue 80-86
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence FEFLHQD
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_C_306

50) chain C
residue 89
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence K
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_C_306

51) chain C
residue 134
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence L
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_C_306

52) chain C
residue 145
type binding
ligand 514: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM
sequence D
description (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM binding site
source pdb_hetatom : 514_2c4g_C_306

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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


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