eF-site ID 2c5v-A
PDB Code 2c5v
Chain A

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Title Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
Classification CELL CYCLE
Compound CELL DIVISION PROTEIN KINASE 2
Source Homo sapiens (Human) (2C5V)
Sequence A:  MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTE
TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVF
EFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYT
HEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRR
ALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAA
LAHPFFQDVTKPVPHL
Description (1)  CELL DIVISION PROTEIN KINASE 2 (E.C.2.7.1.37), CYCLIN A2, ALA-ALA-ABA-ARG-SER-LEU-ILE-PFF-NH2


Functional site

1) chain A
residue 10
type
ligand
sequence I
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

2) chain A
residue 31
type
ligand
sequence A
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

3) chain A
residue 33
type
ligand
sequence K
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

4) chain A
residue 80
type
ligand
sequence F
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

5) chain A
residue 81
type
ligand
sequence E
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

6) chain A
residue 83
type
ligand
sequence L
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

7) chain A
residue 84
type
ligand
sequence H
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

8) chain A
residue 85
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

9) chain A
residue 86
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

10) chain A
residue 89
type
ligand
sequence K
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

11) chain A
residue 134
type
ligand
sequence L
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

12) chain A
residue 145
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

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

14) chain A
residue 132
type METAL
ligand
sequence N
description Magnesium. {ECO:0000269|PubMed:21565702}
source Swiss-Prot : SWS_FT_FI2

15) chain A
residue 145
type METAL
ligand
sequence D
description Magnesium. {ECO:0000269|PubMed:21565702}
source Swiss-Prot : SWS_FT_FI2

16) chain A
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_FI3

17) chain A
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_FI3

18) chain A
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_FI3

19) chain A
residue 9
type SITE
ligand
sequence K
description CDK7 binding.
source Swiss-Prot : SWS_FT_FI4

20) chain A
residue 88-89
type SITE
ligand
sequence KK
description CDK7 binding.
source Swiss-Prot : SWS_FT_FI4

21) chain A
residue 166
type SITE
ligand
sequence L
description CDK7 binding.
source Swiss-Prot : SWS_FT_FI4

22) chain A
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_FI5

23) chain A
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_FI5

24) chain A
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_FI5

25) chain A
residue 149
type catalytic
ligand
sequence A
description Mapped from 2phk to 2c5v using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892
source extCATRES : extCATRES1

26) chain A
residue 151
type catalytic
ligand
sequence A
description Mapped from 2phk to 2c5v using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892
source extCATRES : extCATRES1

27) 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]-x(5,18)-[LIVMFYWCSTAR]-[AIVP]-[LIVMFAGCKR]-K.
source prosite : PS00107

28) 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

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 : CSA3

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

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

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

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

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

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

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


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