Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T55729 Target Info
Target Name Stress-activated protein kinase 2b (p38 beta)
Synonyms Stress-activated protein kinase-2; SAPK2b; SAPK2; PRKM11; P38b; P38-2; P38 Mitogen-activated protein kinase beta; Mitogen-activated protein kinase p38 beta; Mitogen-activated protein kinase 11; MAPK 11; MAP kinase p38 beta; MAP kinase 11
Target Type Clinical trial Target
Gene Name MAPK11
Biochemical Class Kinase
UniProt ID
MK11_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Nilotinib Ligand Info
Structure Description Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib PDB:3GP0
Method X-ray diffraction Resolution 1.90 Å Mutation No [1]
PDB Sequence
MRAGFYRQEL
13
NKTVWEVPQR
23
LQGLRPVGSV
38
CSAYDARLRQ
48
KVAVKKLSRP
58

FQSLIHARRT
68
YRELRLLKHL
78
KHENVIGLLD
88
VFTPATSIED
98
FSEVYLVTTL
108

MGADLNNIVK
118
CQALSDEHVQ
128
FLVYQLLRGL
138
KYIHSAGIIH
148
RDLKPSNVAV
158

NEDCELRILD
168
FGEEMGYVAT
185
RWYRAPEIML
195
NWMHYNQTVD
205
IWSVGCIMAE
215

LLQGKALFPG
225
SDYIDQLKRI
235
MEVVGTPSPE
245
VLAKISSEHA
255
RTYIQSLPPM
265

PQKDLSSIFR
275
GANPLAIDLL
285
GRMLVLDSDQ
295
RVSAAEALAH
305
AYFSQYHDPE
315

DEPEAEPYDE
325
SVEAKERTLE
335
EWKELTYQEV
345
LSF
Residue
Distance (Å)
VAL30
4.497
VAL38
3.876
ALA51
3.681
VAL52
3.913
LYS53
3.520
ARG67
3.452
ARG70
4.061
GLU71
2.778
LEU74
3.827
LEU75
3.792
LEU78
4.005
VAL83
3.525
ILE84
3.423
LEU104
3.711
VAL105
4.753
Residue
Distance (Å)
THR106
3.031
THR107
4.227
LEU108
3.731
MET109
2.759
GLY110
4.513
ALA111
3.918
ASP112
4.489
ILE141
4.431
ILE146
4.905
HIS148
3.465
ALA157
3.873
ILE166
3.913
LEU167
3.237
ASP168
2.798
PHE169
3.429
Ligand Name: 5-(2-Chloro-4-Fluorophenyl)-1-(2,6-Dichlorophenyl)-7-[1-(1-Methylethyl)piperidin-4-Yl]-3,4-Dihydroquinazolin-2(1h)-One Ligand Info
Structure Description The structure of p38beta C119S, C162S in complex with a dihydroquinazolinone inhibitor PDB:3GC9
Method X-ray diffraction Resolution 2.05 Å Mutation Yes [2]
PDB Sequence
GPRAGFYRQE
12
LNKTVWEVPQ
22
RLQGLRPVGS
32
GAYGSVCSAY
42
DARLRQKVAV
52

KKLSRPFQSL
62
IHARRTYREL
72
RLLKHLKHEN
82
VIGLLDVFTP
92
ATSIEDFSEV
102

YLVTTLMGAD
112
LNNIVKSQAL
122
SDEHVQFLVY
132
QLLRGLKYIH
142
SAGIIHRDLK
152

PSNVAVNEDS
162
ELRILDFGLA
172
ATRWYRAPEI
193
MLNWMHYNQT
203
VDIWSVGCIM
213

AELLQGKALF
223
PGSDYIDQLK
233
RIMEVVGTPS
243
PEVLAKISSE
253
HARTYIQSLP
263

PMPQKDLSSI
273
FRGANPLAID
283
LLGRMLVLDS
293
DQRVSAAEAL
303
AHAYFSQYHD
313

PEDEPEAEPY
323
DESVEAKERT
333
LEEWKELTYQ
343
EVLSF
Residue
Distance (Å)
VAL30
3.570
ALA34
3.714
TYR35
3.625
VAL38
3.531
CYS39
4.533
ALA51
3.212
VAL52
3.741
LYS53
3.551
LEU75
3.939
ILE84
4.117
LEU86
3.974
LEU104
3.595
THR106
3.230
Residue
Distance (Å)
THR107
3.079
LEU108
3.615
MET109
2.672
GLY110
3.155
ALA111
3.369
ASP112
4.195
ASN115
4.647
LYS152
4.107
SER154
3.401
ASN155
3.452
ALA157
3.632
LEU167
3.652
ASP168
4.842
Click to View More Binding Site Information of This Target and Ligand Pair
References  Top
REF 1 Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib
REF 2 The three-dimensional structure of MAP kinase p38beta: different features of the ATP-binding site in p38beta compared with p38alpha. Acta Crystallogr D Biol Crystallogr. 2009 Aug;65(Pt 8):777-85.

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