Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T44341 Target Info
Target Name Cyclin-dependent kinase-like 2 (CDKL2)
Synonyms Serine/threonine-protein kinase KKIAMRE; Protein kinase p56 KKIAMRE
Target Type Literature-reported Target
Gene Name CDKL2
Biochemical Class Kinase
UniProt ID
CDKL2_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Cdk1/2 inhibitor III Ligand Info
Structure Description Crystal structure of the human CDKL2 kinase domain PDB:4AAA
Method X-ray diffraction Resolution 1.53 Å Mutation Yes [1]
PDB Sequence
LYFQSMEKYE
5
NLGLVGEGSY
15
GMVMKCRNKD
25
TGRIVAIKKF
35
LESDDDKMVK
45

KIAMREIKLL
55
KQLRHENLVN
65
LLEVCKKKKR
75
WYLVFEFVDH
85
TILDDLELFP
95

NGLDYQVVQK
105
YLFQIINGIG
115
FCHSHNIIHR
125
DIKPENILVS
135
QSGVVKLCDF
145

GFAEVATRWY
167
RAPELLVGDV
177
KYGKAVDVWA
187
IGCLVTEMFM
197
GEPLFPGDSD
207

IDQLYHIMMC
217
LGNLIPRHQE
227
LFNKNPVFAG
237
VRLPEIKERE
247
PLERRYPKLS
257

EVVIDLAKKC
267
LHIDPDKRPF
277
CAELLHHDFF
287
QMDGFAERFS
297
QELQL
Residue
Distance (Å)
VAL10
3.363
GLY11
3.207
GLU12
4.618
SER14
4.685
TYR15
3.193
VAL18
3.264
ALA31
3.700
LYS33
4.917
VAL64
3.547
PHE80
3.925
GLU81
2.875
Residue
Distance (Å)
PHE82
3.440
VAL83
2.800
ASP84
3.486
HIS85
3.868
THR86
3.497
ASP89
2.734
GLU130
3.378
ASN131
3.844
LEU133
3.517
CYS143
3.086
ASP144
3.430
Ligand Name: 4'-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1'-Biphenyl]-2,4-Diol Ligand Info
Structure Description CRYSTAL STRUCTURE OF THE HUMAN CDKL2 KINASE DOMAIN WITH BOUND TCS 2312 PDB:4BBM
Method X-ray diffraction Resolution 2.00 Å Mutation Yes [1]
PDB Sequence
TENLYFQSME
2
KYENLGLVGS
14
YGMVMKCRNK
24
DTGRIVAIKK
34
FLESDDDKMV
44

KKIAMREIKL
54
LKQLRHENLV
64
NLLEVCKKKK
74
RWYLVFEFVD
84
HTILDDLELF
94

PNGLDYQVVQ
104
KYLFQIINGI
114
GFCHSHNIIH
124
RDIKPENILV
134
SQSGVVKLCD
144

FGFARTLAAP
154
GEVYDDEVAT
164
RWYRAPELLV
174
GDVKYGKAVD
184
VWAIGCLVTE
194

MFMGEPLFPG
204
DSDIDQLYHI
214
MMCLGNLIPR
224
HQELFNKNPV
234
FAGVRLPEIK
244

EREPLERRYP
254
KLSEVVIDLA
264
KKCLHIDPDK
274
RPFCAELLHH
284
DFFQMDGFAE
294

RFSQELQLKV
304
QKDA
Residue
Distance (Å)
VAL10
3.600
GLY11
4.241
TYR15
3.363
VAL18
3.925
ALA31
3.587
LYS33
4.091
VAL64
3.111
PHE80
3.401
GLU81
3.020
PHE82
3.475
VAL83
3.022
Residue
Distance (Å)
ASP84
3.678
HIS85
3.849
THR86
3.990
ASP89
3.505
LEU133
3.514
CYS143
3.759
ASP144
3.603
PHE145
4.460
GLY146
4.841
PHE147
3.633
ALA148
3.603
References  Top
REF 1 CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function. Cell Rep. 2018 Jan 23;22(4):885-894.

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