Structure of PDB 7m0w Chain A Binding Site BS02

Receptor Information

>7m0w Chain A (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQA
FKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETK
FEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGL
ATVKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLY
ELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECL
KKKRDERPLFPQILASIELLARSL

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

7m0w Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7m0w Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Resolution	3.09 Å
Binding residue (original residue number in PDB)	N581 D594
Binding residue (residue number reindexed from 1)	N134 D147
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	D576 K578 N580 N581 D594 S616
Catalytic site (residue number reindexed from 1)	D129 K131 N133 N134 D147 S169
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:7m0w, PDBe:7m0w, PDBj:7m0w
PDBsum	7m0w
PubMed	34470822
UniProt	P15056\|BRAF_HUMAN Serine/threonine-protein kinase B-raf (Gene Name=BRAF)

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