Structure of PDB 7m0u Chain A Binding Site BS02

Receptor Information

>7m0u 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]

DWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAF
KNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKF
EMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLA
TVKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYE
LMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLK
KKRDERPLFPQILASIELLARSLP

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

7m0u 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	7m0u 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)	N133 D146
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)	D128 K130 N132 N133 D146 S168
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:7m0u, PDBe:7m0u, PDBj:7m0u
PDBsum	7m0u
PubMed	34470822
UniProt	P15056\|BRAF_HUMAN Serine/threonine-protein kinase B-raf (Gene Name=BRAF)

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