Cyclin-dependent kinase 2
Kinase structure
Kinase:CDK2
Family:CDK
Group:CMGC
Species:HUMAN
IUPHAR/BPS ID:1973
PDB:2FVD
sc-PDB:
KIDFamMap:Search
Release date:2006-10-10
PubMed: 17064073
Chain:A
Orthosteric ligand:LIA
2D structure of the orthosteric ligand
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The orthosteric binding pocket
Structural information
DFG conformation:in
αC-helix conformation:out
G-rich loop angle (distance):51.7° (15.2Å)
G-rich loop rotation:52.2°
Quality Score:8.2
Resolution:1.85 Å
Missing Residues:3
Missing Atoms:6
Ligand binding mode
PocketsSubpocketsWaters
front
FP-I
Cluster
I2
I4
I5
I9
Ligand
No
No
Yes
Yes
Protein
Yes
No
Yes
No

Pocket alignment
Uniprot sequence:EKIGEGTYGVVYKVALKKITAIREISLLKELNPNIVKLLDVYLVFEFLH-QDLKKFMDAFCHSHRVLHRDLKPQNLLILADFGLA
Sequence structure:EKIGEGTYGVVYKVALKKI___REISLLKELNPNIVKLLDVYLVFEFLH_QDLKKFMDAFCHSHRVLHRDLKPQNLLILADFGLA

Ligand affinity
ChEMBL ID:CHEMBL384304
Bioaffinities: 61 records for 50 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensCaM kinase II alpha5.75.75.7pKd1
Homo sapiensCaM kinase II beta6.16.16.1pKd1
Homo sapiensCaM kinase II delta5.95.95.9pKd1
Homo sapiensCaM kinase II gamma5.75.75.7pKd1
Homo sapiensCaM-kinase kinase beta5.95.95.9pKd1
Plasmodium falciparum (isolate 3D7)Cell division control protein 2 homolog6.26.26.2pKd1
Homo sapiensCyclin-dependent kinase 18.78.78.7pKi1
Homo sapiensCyclin-dependent kinase 29.39.39.3pKd1
Homo sapiensCyclin-dependent kinase 28.58.58.5pKi1
Homo sapiensCyclin-dependent kinase 38.58.58.5pKd1
Homo sapiensCyclin-dependent kinase 49.19.19.2pKd2
Homo sapiensCyclin-dependent kinase 58.18.18.1pKd1
Homo sapiensCyclin-dependent kinase 79.29.29.2pKd1
Homo sapiensCyclin-dependent kinase 97.87.87.8pKd1
Homo sapiensCyclin-dependent kinase-like 55.45.45.4pKd1
Homo sapiensDual specificity protein kinase CLK27.17.17.1pKd1
Homo sapiensDual specificity protein kinase CLK37.97.97.9pKd1
Homo sapiensDual specificity protein kinase CLK46.56.56.5pKd1
Homo sapiensDual specificity protein kinase TTK5.25.25.2pKd1
Homo sapiensDual-specificity tyrosine-phosphorylation regulated kinase 1A7.67.67.6pKd1
Homo sapiensDual specificity tyrosine-phosphorylation-regulated kinase 1B6.66.66.6pKd1
Homo sapiensDual specificty protein kinase CLK17.27.27.2pKd1
Homo sapiensEpidermal growth factor receptor erbB15.255.3pKd8
Homo sapiensGlycogen synthase kinase-3 alpha6.66.66.6pKd1
Homo sapiensGlycogen synthase kinase-3 beta6.66.66.6pKd1
Homo sapiensGlycogen synthase kinase-3 beta5.15.15.1pKi1
Homo sapiensMitogen-activated protein kinase 157.27.27.2pKd1
Homo sapiensMitogen-activated protein kinase 7777pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 15.55.55.5pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 25.55.55.5pKd1
Homo sapiensMyotonin-protein kinase6.26.26.2pKd1
Homo sapiensPITSLRE serine/threonine-protein kinase CDC2L15.65.65.6pKd1
Homo sapiensPITSLRE serine/threonine-protein kinase CDC2L25.55.55.5pKd1
Homo sapiensProtein kinase N25.15.15.1pKd1
Homo sapiensRho-associated protein kinase 15.75.75.7pKd1
Homo sapiensRho-associated protein kinase 26.16.16.1pKd1
Homo sapiensRibosomal protein S6 kinase alpha 26.46.46.4pKd2
Homo sapiensSerine/threonine-protein kinase 106.46.46.4pKd1
Homo sapiensSerine/threonine-protein kinase 2777pKd1
Homo sapiensSerine/threonine-protein kinase DCLK36.26.26.2pKd1
Homo sapiensSerine/threonine-protein kinase ICK8.78.78.7pKd1
Homo sapiensSerine/threonine-protein kinase MAK888pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-19.39.39.3pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-29.19.19.1pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-37.77.77.7pKd1
Homo sapiensSerine/threonine-protein kinase PFTAIRE-1888pKd1
Homo sapiensSerine/threonine-protein kinase PFTAIRE-28.18.18.1pKd1
Homo sapiensSerine/threonine-protein kinase TAO16.26.26.2pKd1
Homo sapiensSerine/threonine-protein kinase TAO26.16.16.1pKd1
Homo sapiensSerine/threonine-protein kinase TAO36.76.76.7pKd1
Homo sapiensSerine/threonine-protein kinase TNNI3K5.45.45.4pKd1
Homo sapiensTyrosine-protein kinase ABL5.65.65.6pKd1


Kinase-ligand interaction pattern
Hydrophobic Aromatic face-to-face Aromatic face-to-edge H-bond donor H-bond acceptor Ionic positive Ionic negative
I g.l II III αC
1 E
8
2 K
9
3 I
10
4 G
11
5 E
12
6 G
13
7 T
14
8 Y
15
9 G
16
10 V
17
11 V
18
12 Y
19
13 K
20
14 V
30
15 A
31
16 L
32
17 K
33
18 K
34
19 I
35
20 _
_
αC b.l IV
21 _
_
22 _
_
23 R
50
24 E
51
25 I
52
26 S
53
27 L
54
28 L
55
29 K
56
30 E
57
31 L
58
32 N
59
33 P
61
34 N
62
35 I
63
36 V
64
37 K
65
38 L
66
39 L
67
40 D
68
IV V GK hinge linker αD αE
41 V
69
42 Y
77
43 L
78
44 V
79
45 F
80
46 E
81
47 F
82
48 L
83
49 H
84
50 _
_
51 Q
85
52 D
86
53 L
87
54 K
88
55 K
89
56 F
90
57 M
91
58 D
92
59 A
93
60 F
117
αE VI c.l VII VIII x
61 C
118
62 H
119
63 S
120
64 H
121
65 R
122
66 V
123
67 L
124
68 H
125
69 R
126
70 D
127
71 L
128
72 K
129
73 P
130
74 Q
131
75 N
132
76 L
133
77 L
134
78 I
135
79 L
143
80 A
144
DFG a.l
81 D
145
82 F
146
83 G
147
84 L
148
85 A
149

Interaction pattern search
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