Structure of PDB 9axm Chain A

Receptor sequence

>9axmA (length=305) Species: 9606 (Homo sapiens)

EELELDEQQRKRLEAFLTQKQKVGELKDDDFEKISELGAGNGGVVFKVSH
KPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDG
EISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIM
HRDVKPSNILVNSRGEIKLCDFGVSGQLIDAMANAFVGTRSYMSPERLQG
THYSVQSDIWSMGLSLVEMAVGRYPIGSGSMAIFELLDYIVNEPPPKLPS
GVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCS
TIGLN

3D structure

• PDB: 9axm 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: A
• Resolution: 2.42 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	A	L118 V127 I141 R189 D190 D208 F209 G210 V211 S212 L215 I216 R234	L81 V90 I104 R152 D153 D171 F172 G173 V174 S175 L178 I179 R197
BS02	MG	A	N195 D208	N158 D171
BS03	ANP	A	L74 V82 A95 K97 M143 M146 S150 Q153 K192 S194 N195 L197 D208	L37 V45 A58 K60 M106 M109 S113 Q116 K155 S157 N158 L160 D171

Gene Ontology

Molecular Function

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

Biological Process

• GO:0006468 protein phosphorylation

External links

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