eF-site ID 1oiu-C
PDB Code 1oiu
Chain C

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Title Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor
Classification KINASE
Compound CELL DIVISION PROTEIN KINASE 2
Source Homo sapiens (Human) (CGA2_HUMAN)
Sequence C:  SMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDT
ETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLV
FEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCH
SHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTY
XHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTR
RALFPGDSEIDQLFRIFRTLGVPPLDEDGRSLLSQMLHYD
PNKRISAKAALAHPFFQDVTKPVPHL
Description (1)  CELL DIVISION PROTEIN KINASE 2 (E.C.2.7.1.37), CYCLIN A2


Functional site

1) chain C
residue 10
type
ligand
sequence I
description BINDING SITE FOR RESIDUE N76 C1298
source : AC3

2) chain C
residue 12
type
ligand
sequence E
description BINDING SITE FOR RESIDUE N76 C1298
source : AC3

3) chain C
residue 13
type
ligand
sequence G
description BINDING SITE FOR RESIDUE N76 C1298
source : AC3

4) chain C
residue 31
type
ligand
sequence A
description BINDING SITE FOR RESIDUE N76 C1298
source : AC3

5) chain C
residue 64
type
ligand
sequence V
description BINDING SITE FOR RESIDUE N76 C1298
source : AC3

6) chain C
residue 80
type
ligand
sequence F
description BINDING SITE FOR RESIDUE N76 C1298
source : AC3

7) chain C
residue 81
type
ligand
sequence E
description BINDING SITE FOR RESIDUE N76 C1298
source : AC3

8) chain C
residue 82
type
ligand
sequence F
description BINDING SITE FOR RESIDUE N76 C1298
source : AC3

9) chain C
residue 83
type
ligand
sequence L
description BINDING SITE FOR RESIDUE N76 C1298
source : AC3

10) chain C
residue 84
type
ligand
sequence H
description BINDING SITE FOR RESIDUE N76 C1298
source : AC3

11) chain C
residue 86
type
ligand
sequence D
description BINDING SITE FOR RESIDUE N76 C1298
source : AC3

12) chain C
residue 132
type
ligand
sequence N
description BINDING SITE FOR RESIDUE N76 C1298
source : AC3

13) chain C
residue 134
type
ligand
sequence L
description BINDING SITE FOR RESIDUE N76 C1298
source : AC3

14) chain C
residue 131
type ACT_SITE
ligand
sequence Q
description Proton acceptor.
source Swiss-Prot : SWS_FT_FI4

15) chain C
residue 37
type BINDING
ligand
sequence L
description ATP.
source Swiss-Prot : SWS_FT_FI5

16) chain C
residue 90
type BINDING
ligand
sequence F
description ATP.
source Swiss-Prot : SWS_FT_FI5

17) chain C
residue 149
type BINDING
ligand
sequence A
description ATP.
source Swiss-Prot : SWS_FT_FI5

18) chain C
residue 14-22
type NP_BIND
ligand
sequence TYGVVYKAR
description ATP.
source Swiss-Prot : SWS_FT_FI6

19) chain C
residue 85-87
type NP_BIND
ligand
sequence QDL
description ATP.
source Swiss-Prot : SWS_FT_FI6

20) chain C
residue 133-136
type NP_BIND
ligand
sequence LLIN
description ATP.
source Swiss-Prot : SWS_FT_FI6

21) chain C
residue 8
type binding
ligand N76: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE
sequence E
description 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE binding site
source pdb_hetatom : N76_1oiu_C_1298

22) chain C
residue 10-13
type binding
ligand N76: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE
sequence IGEG
description 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE binding site
source pdb_hetatom : N76_1oiu_C_1298

23) chain C
residue 18
type binding
ligand N76: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE
sequence V
description 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE binding site
source pdb_hetatom : N76_1oiu_C_1298

24) chain C
residue 20
type binding
ligand N76: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE
sequence K
description 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE binding site
source pdb_hetatom : N76_1oiu_C_1298

25) chain C
residue 31
type binding
ligand N76: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE
sequence A
description 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE binding site
source pdb_hetatom : N76_1oiu_C_1298

26) chain C
residue 64
type binding
ligand N76: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE
sequence V
description 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE binding site
source pdb_hetatom : N76_1oiu_C_1298

27) chain C
residue 80-86
type binding
ligand N76: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE
sequence FEFLHQD
description 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE binding site
source pdb_hetatom : N76_1oiu_C_1298

28) chain C
residue 89
type binding
ligand N76: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE
sequence K
description 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE binding site
source pdb_hetatom : N76_1oiu_C_1298

29) chain C
residue 131-132
type binding
ligand N76: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE
sequence QN
description 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE binding site
source pdb_hetatom : N76_1oiu_C_1298

30) chain C
residue 134
type binding
ligand N76: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE
sequence L
description 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE binding site
source pdb_hetatom : N76_1oiu_C_1298

31) chain C
residue 144-145
type binding
ligand N76: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE
sequence AD
description 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE binding site
source pdb_hetatom : N76_1oiu_C_1298

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

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

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

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

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

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

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

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

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

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


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