Structure of PDB 9axx Chain C

Receptor sequence

>9axxC (length=299) Species: 9606 (Homo sapiens)

LEELELDEQQRKRLEAFLTQKQKVGELKDDDFEKISELGAGNGVVFKVSH
KPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDG
EISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIM
HRDVKPSNILVNSRGEIKLCDFGVSGQLIDAMANAFVGTRSYMSPERLQG
THYSVQSDIWSMGLSLVEMAVGRYPIGSMAIFELLDYIVNEPPPKLPSGV
FSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCST

3D structure

• PDB: 9axx 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: C
• Resolution: 2.07 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	C	L118 V127 I141 M143 R189 D190 C207 D208 F209 G210 V211 S212 L215 I216 R234	L81 V90 I104 M106 R152 D153 C170 D171 F172 G173 V174 S175 L178 I179 R197
BS02	ANP	C	L74 G77 V82 A95 K97 M143 M146 S150 Q153 K192 S194 L197	L38 G41 V45 A58 K60 M106 M109 S113 Q116 K155 S157 L160
BS03	MG	C	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:9axx, PDBe:9axx, PDBj:9axx
• PDBsum: 9axx
• PubMed: 38588399
• UniProt: Q02750|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)