Structure of PDB 9axh Chain B

Receptor sequence

>9axhB (length=300) Species: 9606 (Homo sapiens)

EELELDEQQRKRLEAFLTQKQKVGELKDDDFEKISELGAGNGGVVFKVSH
KPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDG
EISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIM
HRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMSPERLQG
THYSVQSDIWSMGLSLVEMAVGRYPIMAIFELLDYIVNEPPPKLPSGVFS
LEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGL

3D structure

• PDB: 9axh 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: 2.81 Å

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 C207 D208 F209 G210 V211 L215 I216 A220 R234	L81 V90 I104 R152 D153 C170 D171 F172 G173 V174 L178 I179 A183 R197
BS02	ANP	B	L74 G75 A76 G77 N78 V82 A95 K97 E144 H145 M146 S150 Q153 K192 S194 L197	L37 G38 A39 G40 N41 V45 A58 K60 E107 H108 M109 S113 Q116 K155 S157 L160
BS03	MG	B	N195 D208	N158 D171

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:9axh, PDBe:9axh, PDBj:9axh
• PDBsum: 9axh
• PubMed: 38588399
• UniProt: Q02750|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)