eF-site ID 1pxo-A
PDB Code 1pxo
Chain A

click to enlarge
Title HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine
Classification TRANSFERASE
Compound Cell division protein kinase 2
Source Homo sapiens (Human) (CDK2_HUMAN)
Sequence A:  MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRTEGV
PSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLH
QDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVL
HRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVV
TLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFP
GDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWA
RQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHP
FFQDVTKPVPHLRL
Description (1)  Cell division protein kinase 2 (E.C.2.7.1.-)


Functional site

1) chain A
residue 10
type
ligand
sequence I
description BINDING SITE FOR RESIDUE CK7 A 500
source : AC1

2) chain A
residue 31
type
ligand
sequence A
description BINDING SITE FOR RESIDUE CK7 A 500
source : AC1

3) chain A
residue 33
type
ligand
sequence K
description BINDING SITE FOR RESIDUE CK7 A 500
source : AC1

4) chain A
residue 80
type
ligand
sequence F
description BINDING SITE FOR RESIDUE CK7 A 500
source : AC1

5) chain A
residue 81
type
ligand
sequence E
description BINDING SITE FOR RESIDUE CK7 A 500
source : AC1

6) chain A
residue 83
type
ligand
sequence L
description BINDING SITE FOR RESIDUE CK7 A 500
source : AC1

7) chain A
residue 84
type
ligand
sequence H
description BINDING SITE FOR RESIDUE CK7 A 500
source : AC1

8) chain A
residue 86
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CK7 A 500
source : AC1

9) chain A
residue 89
type
ligand
sequence K
description BINDING SITE FOR RESIDUE CK7 A 500
source : AC1

10) chain A
residue 131
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE CK7 A 500
source : AC1

11) chain A
residue 134
type
ligand
sequence L
description BINDING SITE FOR RESIDUE CK7 A 500
source : AC1

12) chain A
residue 144
type
ligand
sequence A
description BINDING SITE FOR RESIDUE CK7 A 500
source : AC1

13) chain A
residue 145
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CK7 A 500
source : AC1

14) chain A
residue 127
type ACT_SITE
ligand
sequence D
description Proton acceptor.
source Swiss-Prot : SWS_FT_FI1

15) chain A
residue 33
type BINDING
ligand
sequence K
description ATP.
source Swiss-Prot : SWS_FT_FI2

16) chain A
residue 86
type BINDING
ligand
sequence D
description ATP.
source Swiss-Prot : SWS_FT_FI2

17) chain A
residue 145
type BINDING
ligand
sequence D
description ATP.
source Swiss-Prot : SWS_FT_FI2

18) chain A
residue 10-18
type NP_BIND
ligand
sequence IGEGTYGVV
description ATP.
source Swiss-Prot : SWS_FT_FI3

19) chain A
residue 81-83
type NP_BIND
ligand
sequence EFL
description ATP.
source Swiss-Prot : SWS_FT_FI3

20) chain A
residue 129-132
type NP_BIND
ligand
sequence KPQN
description ATP.
source Swiss-Prot : SWS_FT_FI3

21) chain A
residue 149
type catalytic
ligand
sequence A
description Mapped from 2phk to 1pxo using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892
source extCATRES : extCATRES1

22) chain A
residue 151
type catalytic
ligand
sequence A
description Mapped from 2phk to 1pxo using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892
source extCATRES : extCATRES1

23) chain A
residue 123-135
type prosite
ligand
sequence VLHRDLKPQNLLI
description Serine/Threonine protein kinases active-site signature. [LIVMFYC]-x-[HY]-x-D-[LIVMFY]-K-x(2)-N-[LIVMFYCT](3)
source prosite : PS00108

24) chain A
residue 10-33
type prosite
ligand
sequence IGEGTYGVVYKARNKLTGEVVALK
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 8
type binding
ligand CK7: [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
sequence E
description [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE binding site
source pdb_hetatom : CK7_1pxo_A_500

26) chain A
residue 10-11
type binding
ligand CK7: [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
sequence IG
description [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE binding site
source pdb_hetatom : CK7_1pxo_A_500

27) chain A
residue 18
type binding
ligand CK7: [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
sequence V
description [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE binding site
source pdb_hetatom : CK7_1pxo_A_500

28) chain A
residue 31
type binding
ligand CK7: [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
sequence A
description [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE binding site
source pdb_hetatom : CK7_1pxo_A_500

29) chain A
residue 33
type binding
ligand CK7: [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
sequence K
description [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE binding site
source pdb_hetatom : CK7_1pxo_A_500

30) chain A
residue 64
type binding
ligand CK7: [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
sequence V
description [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE binding site
source pdb_hetatom : CK7_1pxo_A_500

31) chain A
residue 80-86
type binding
ligand CK7: [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
sequence FEFLHQD
description [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE binding site
source pdb_hetatom : CK7_1pxo_A_500

32) chain A
residue 89
type binding
ligand CK7: [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
sequence K
description [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE binding site
source pdb_hetatom : CK7_1pxo_A_500

33) chain A
residue 131-132
type binding
ligand CK7: [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
sequence QN
description [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE binding site
source pdb_hetatom : CK7_1pxo_A_500

34) chain A
residue 134
type binding
ligand CK7: [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
sequence L
description [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE binding site
source pdb_hetatom : CK7_1pxo_A_500

35) chain A
residue 144-145
type binding
ligand CK7: [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
sequence AD
description [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE binding site
source pdb_hetatom : CK7_1pxo_A_500

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

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

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

39) chain A
residue 129
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA2

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

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

42) chain A
residue 165
type catalytic
ligand
sequence T
description Annotated By Reference To The Literature 1ir3
source CSA : CSA3

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

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

45) chain A
residue 132
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1ir3
source CSA : CSA4


Display surface

Download
Links