Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T19760 Target Info
Target Name Mixed lineage kinase 1 (MAP3K9)
Synonyms PRKE1; Mitogen-activated protein kinase kinase kinase 9; MLK1
Target Type Clinical trial Target
Gene Name MAP3K9
Biochemical Class Kinase
UniProt ID
M3K9_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one Ligand Info
Structure Description Crystal structure of mixed-lineage kinase MLK1 complexed with compound 16 PDB:3DTC
Method X-ray diffraction Resolution 2.60 Å Mutation Yes [1]
PDB Sequence
LLEIDFAELT
145
LEEIIGIGGF
155
GKVYRAFWIG
165
DEVAVKAATI
185
ENVRQEAKLF
195

AMLKHPNIIA
205
LRGVCLKELC
217
LVMEFARGGP
227
LNRVLSGKRI
237
PPDILVNWAV
247

QIARGMNYLH
257
DEAIVPIIHR
267
DLKSSNILIL
277
QKVENGDLSN
287
KILKITDFGL
297

GAYAWMAPEV
320
IRASMFSKGS
330
DVWSYGVLLW
340
ELLTGEVPFR
350
GIDGLAVAYG
360

VAMNKLALPI
370
PSTCPEPFAK
380
LMEDCWNPDP
390
HSRPSFTNIL
400
DQLTT
Residue
Distance (Å)
ILE150
3.428
GLY151
3.531
PHE155
3.159
VAL158
3.579
ARG160
3.947
ALA169
3.482
LYS171
3.636
ILE204
4.219
MET220
3.636
GLU221
3.154
PHE222
3.793
Residue
Distance (Å)
ALA223
3.006
ARG224
3.537
GLY225
4.397
GLY226
3.409
PRO227
3.858
ARG230
3.456
SER272
3.054
ASN273
3.703
LEU275
3.647
THR293
3.129
ASP294
3.488
References  Top
REF 1 Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-linea... J Med Chem. 2008 Sep 25;51(18):5680-9.

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