eF-site ID 2a4l-A
PDB Code 2a4l
Chain A

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Title Human cyclin-dependent kinase 2 in complex with roscovitine
Classification TRANSFERASE
Compound Homo sapiens cyclin-dependent kinase 2
Source (AAP36159)
Sequence A:  MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIAIREI
SLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMD
ASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQN
LLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPE
ILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQL
FRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVV
PPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKP
VPHLRL
Description (1)  HUMAN CYCLIN-DEPENDENT KINASE 2


Functional site

1) chain A
residue 10
type
ligand
sequence I
description BINDING SITE FOR RESIDUE RRC A 300
source : AC1

2) chain A
residue 18
type
ligand
sequence V
description BINDING SITE FOR RESIDUE RRC A 300
source : AC1

3) chain A
residue 31
type
ligand
sequence A
description BINDING SITE FOR RESIDUE RRC A 300
source : AC1

4) chain A
residue 33
type
ligand
sequence K
description BINDING SITE FOR RESIDUE RRC A 300
source : AC1

5) chain A
residue 81
type
ligand
sequence E
description BINDING SITE FOR RESIDUE RRC A 300
source : AC1

6) chain A
residue 82
type
ligand
sequence F
description BINDING SITE FOR RESIDUE RRC A 300
source : AC1

7) chain A
residue 83
type
ligand
sequence L
description BINDING SITE FOR RESIDUE RRC A 300
source : AC1

8) chain A
residue 84
type
ligand
sequence H
description BINDING SITE FOR RESIDUE RRC A 300
source : AC1

9) chain A
residue 89
type
ligand
sequence K
description BINDING SITE FOR RESIDUE RRC A 300
source : AC1

10) chain A
residue 132
type
ligand
sequence N
description BINDING SITE FOR RESIDUE RRC A 300
source : AC1

11) chain A
residue 134
type
ligand
sequence L
description BINDING SITE FOR RESIDUE RRC A 300
source : AC1

12) chain A
residue 144
type
ligand
sequence A
description BINDING SITE FOR RESIDUE RRC A 300
source : AC1

13) chain A
residue 145
type
ligand
sequence D
description BINDING SITE FOR RESIDUE RRC A 300
source : AC1

14) chain A
residue 149
type catalytic
ligand
sequence A
description Mapped from 2phk to 2a4l using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892
source extCATRES : extCATRES1

15) chain A
residue 151
type catalytic
ligand
sequence A
description Mapped from 2phk to 2a4l using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892
source extCATRES : extCATRES1

16) 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

17) 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

18) chain A
residue 8
type binding
ligand RRC: R-ROSCOVITINE
sequence E
description R-ROSCOVITINE binding site
source pdb_hetatom : RRC_2a4l_A_300

19) chain A
residue 10-13
type binding
ligand RRC: R-ROSCOVITINE
sequence IGEG
description R-ROSCOVITINE binding site
source pdb_hetatom : RRC_2a4l_A_300

20) chain A
residue 18
type binding
ligand RRC: R-ROSCOVITINE
sequence V
description R-ROSCOVITINE binding site
source pdb_hetatom : RRC_2a4l_A_300

21) chain A
residue 31
type binding
ligand RRC: R-ROSCOVITINE
sequence A
description R-ROSCOVITINE binding site
source pdb_hetatom : RRC_2a4l_A_300

22) chain A
residue 33
type binding
ligand RRC: R-ROSCOVITINE
sequence K
description R-ROSCOVITINE binding site
source pdb_hetatom : RRC_2a4l_A_300

23) chain A
residue 64
type binding
ligand RRC: R-ROSCOVITINE
sequence V
description R-ROSCOVITINE binding site
source pdb_hetatom : RRC_2a4l_A_300

24) chain A
residue 80-86
type binding
ligand RRC: R-ROSCOVITINE
sequence FEFLHQD
description R-ROSCOVITINE binding site
source pdb_hetatom : RRC_2a4l_A_300

25) chain A
residue 89
type binding
ligand RRC: R-ROSCOVITINE
sequence K
description R-ROSCOVITINE binding site
source pdb_hetatom : RRC_2a4l_A_300

26) chain A
residue 131-132
type binding
ligand RRC: R-ROSCOVITINE
sequence QN
description R-ROSCOVITINE binding site
source pdb_hetatom : RRC_2a4l_A_300

27) chain A
residue 134
type binding
ligand RRC: R-ROSCOVITINE
sequence L
description R-ROSCOVITINE binding site
source pdb_hetatom : RRC_2a4l_A_300

28) chain A
residue 144-145
type binding
ligand RRC: R-ROSCOVITINE
sequence AD
description R-ROSCOVITINE binding site
source pdb_hetatom : RRC_2a4l_A_300

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

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

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

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

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

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

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

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

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

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


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