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

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Title THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR
Classification TRANSFERASE, CELL CYCLE
Compound CYCLIN-DEPENDENT KINASE 2
Source Homo sapiens (Human) (CCNA2_HUMAN)
Sequence C:  MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTE
TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVF
EFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYT
HEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRR
ALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAA
LAHPFFQDVTKPVPHLRL
Description (1)  CELL DIVISION PROTEIN KINASE 2 (E.C.2.7.1.37)/CYCLIN A


Functional site

1) chain C
residue 8
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

2) chain C
residue 9
type
ligand
sequence K
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

3) chain C
residue 10
type
ligand
sequence I
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

4) chain C
residue 31
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

5) chain C
residue 33
type
ligand
sequence K
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

6) chain C
residue 64
type
ligand
sequence V
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

7) chain C
residue 80
type
ligand
sequence F
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

8) chain C
residue 81
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

9) chain C
residue 82
type
ligand
sequence F
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

10) chain C
residue 83
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

11) chain C
residue 84
type
ligand
sequence H
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

12) chain C
residue 85
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

13) chain C
residue 86
type
ligand
sequence D
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

14) chain C
residue 89
type
ligand
sequence K
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

15) chain C
residue 134
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

16) chain C
residue 145
type
ligand
sequence D
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

17) chain C
residue 298
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 107 C 601
source : AC2

18) chain C
residue 127
type ACT_SITE
ligand
sequence D
description Proton acceptor.
source Swiss-Prot : SWS_FT_FI6

19) chain C
residue 132
type METAL
ligand
sequence N
description Magnesium. {ECO:0000269|PubMed:21565702}
source Swiss-Prot : SWS_FT_FI7

20) chain C
residue 145
type METAL
ligand
sequence D
description Magnesium. {ECO:0000269|PubMed:21565702}
source Swiss-Prot : SWS_FT_FI7

21) chain C
residue 33
type BINDING
ligand
sequence K
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI8

22) chain C
residue 86
type BINDING
ligand
sequence D
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI8

23) chain C
residue 145
type BINDING
ligand
sequence D
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI8

24) chain C
residue 9
type SITE
ligand
sequence K
description CDK7 binding.
source Swiss-Prot : SWS_FT_FI9

25) chain C
residue 88-89
type SITE
ligand
sequence KK
description CDK7 binding.
source Swiss-Prot : SWS_FT_FI9

26) chain C
residue 166
type SITE
ligand
sequence L
description CDK7 binding.
source Swiss-Prot : SWS_FT_FI9

27) chain C
residue 10-18
type NP_BIND
ligand
sequence IGEGTYGVV
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI10

28) chain C
residue 81-83
type NP_BIND
ligand
sequence EFL
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI10

29) chain C
residue 129-132
type NP_BIND
ligand
sequence KPQN
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI10

30) chain C
residue 8-10
type binding
ligand 107: 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
sequence EKI
description 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE binding site
source pdb_hetatom : 107_1fvv_C_601

31) chain C
residue 18
type binding
ligand 107: 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
sequence V
description 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE binding site
source pdb_hetatom : 107_1fvv_C_601

32) chain C
residue 31
type binding
ligand 107: 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
sequence A
description 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE binding site
source pdb_hetatom : 107_1fvv_C_601

33) chain C
residue 33
type binding
ligand 107: 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
sequence K
description 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE binding site
source pdb_hetatom : 107_1fvv_C_601

34) chain C
residue 51
type binding
ligand 107: 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
sequence E
description 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE binding site
source pdb_hetatom : 107_1fvv_C_601

35) chain C
residue 64
type binding
ligand 107: 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
sequence V
description 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE binding site
source pdb_hetatom : 107_1fvv_C_601

36) chain C
residue 80-86
type binding
ligand 107: 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
sequence FEFLHQD
description 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE binding site
source pdb_hetatom : 107_1fvv_C_601

37) chain C
residue 89
type binding
ligand 107: 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
sequence K
description 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE binding site
source pdb_hetatom : 107_1fvv_C_601

38) chain C
residue 134
type binding
ligand 107: 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
sequence L
description 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE binding site
source pdb_hetatom : 107_1fvv_C_601

39) chain C
residue 144-145
type binding
ligand 107: 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
sequence AD
description 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE binding site
source pdb_hetatom : 107_1fvv_C_601

40) chain C
residue 298
type binding
ligand 107: 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
sequence L
description 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE binding site
source pdb_hetatom : 107_1fvv_C_601

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

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

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

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

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

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

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

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

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

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


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