Structure of PDB 9ay7 Chain B
Receptor sequence
>9ay7B (length=322) Species:
9606
(Homo sapiens) [
Search protein sequence
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LQKKLEELELDEQQRKRLEAFLTQKQKVGELKDDDFEKISELGAGNGGVV
FKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGA
FYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLRE
KHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDAMANAFVGTRSYMSP
ERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFGCPMAIF
ELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFI
KRSDAEEVDFAGWLCSTIGLNQ
3D structure
PDB
9ay7
The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Chain
B
Resolution
2.41 Å
3D
structure
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Enzymatic activity
Enzyme Commision number
2.7.12.2
: mitogen-activated protein kinase kinase.
Interaction with ligand
Site
#
Ligand
Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01
A1AHE
B
L118 V127 I141 R189 D190 D208 F209 G210 V211 S212 L215 I216 M219 M230 R234
L86 V95 I109 R157 D158 D176 F177 G178 V179 S180 L183 I184 M187 M198 R202
BS02
ANP
B
L74 G75 G77 V82 A95 K97 M143 M146 Q153 K192 S194 L197
L42 G43 G45 V50 A63 K65 M111 M114 Q121 K160 S162 L165
BS03
MG
B
N195 D208
N163 D176
Gene Ontology
Molecular Function
GO:0004672
protein kinase activity
GO:0004674
protein serine/threonine kinase activity
GO:0004708
MAP kinase kinase activity
GO:0004712
protein serine/threonine/tyrosine kinase activity
GO:0004713
protein tyrosine kinase activity
GO:0005078
MAP-kinase scaffold activity
GO:0005515
protein binding
GO:0005524
ATP binding
GO:0030295
protein kinase activator activity
GO:0043539
protein serine/threonine kinase activator activity
GO:0097110
scaffold protein binding
GO:0106310
protein serine kinase activity
Biological Process
GO:0000165
MAPK cascade
GO:0006468
protein phosphorylation
GO:0006935
chemotaxis
GO:0007165
signal transduction
GO:0007507
heart development
GO:0008285
negative regulation of cell population proliferation
GO:0010628
positive regulation of gene expression
GO:0014044
Schwann cell development
GO:0016310
phosphorylation
GO:0021697
cerebellar cortex formation
GO:0030182
neuron differentiation
GO:0030216
keratinocyte differentiation
GO:0030878
thyroid gland development
GO:0032872
regulation of stress-activated MAPK cascade
GO:0035987
endodermal cell differentiation
GO:0038133
ERBB2-ERBB3 signaling pathway
GO:0042552
myelination
GO:0043410
positive regulation of MAPK cascade
GO:0044342
type B pancreatic cell proliferation
GO:0045893
positive regulation of DNA-templated transcription
GO:0048009
insulin-like growth factor receptor signaling pathway
GO:0048538
thymus development
GO:0048679
regulation of axon regeneration
GO:0048870
cell motility
GO:0050772
positive regulation of axonogenesis
GO:0060020
Bergmann glial cell differentiation
GO:0060324
face development
GO:0060425
lung morphogenesis
GO:0060440
trachea formation
GO:0060502
epithelial cell proliferation involved in lung morphogenesis
GO:0060674
placenta blood vessel development
GO:0060711
labyrinthine layer development
GO:0070371
ERK1 and ERK2 cascade
GO:0070374
positive regulation of ERK1 and ERK2 cascade
GO:0071902
positive regulation of protein serine/threonine kinase activity
GO:0090170
regulation of Golgi inheritance
GO:0090398
cellular senescence
GO:1903226
positive regulation of endodermal cell differentiation
GO:2000641
regulation of early endosome to late endosome transport
Cellular Component
GO:0005634
nucleus
GO:0005737
cytoplasm
GO:0005739
mitochondrion
GO:0005769
early endosome
GO:0005770
late endosome
GO:0005783
endoplasmic reticulum
GO:0005794
Golgi apparatus
GO:0005813
centrosome
GO:0005816
spindle pole body
GO:0005829
cytosol
GO:0005856
cytoskeleton
GO:0005886
plasma membrane
GO:0005925
focal adhesion
GO:0016020
membrane
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:9ay7
,
PDBe:9ay7
,
PDBj:9ay7
PDBsum
9ay7
PubMed
38588399
UniProt
Q02750
|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)
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