Structure of PDB 9ay7 Chain A Binding Site BS02

Receptor Information
>9ay7 Chain A (length=260) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIEASEVMLSTRIGSGSFGTVYKGKWHGDVAVKILKVDPTPEQFQAFRNE
VAVLRKTRHVNILLFMGYMTLAIVTQWCEGSSLYKHLHVQETKFQMFQLI
DIARQTAQGMDYLHAKNIIHRDMKSNNIFLHEGLTVKIGDFGLATVKSQV
EQPTGSVLWMAPEVIRMQDNNPFSFQSDVYSYGIVLYELMTGELPYSHIN
NRDQIIFMVGRGYASPDLSKLYKNCPKAMKRLVADCVKKVKEERPLFPQI
LSSIELLQHS
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain9ay7 Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9ay7 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.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		N473 D486
Binding residue
(residue number reindexed from 1)		N127 D140
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:9ay7, PDBe:9ay7, PDBj:9ay7
PDBsum9ay7
PubMed38588399
UniProtP04049|RAF1_HUMAN RAF proto-oncogene serine/threonine-protein kinase (Gene Name=RAF1)

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