Structure of PDB 6pp9 Chain A Binding Site BS02

Receptor Information

>6pp9 Chain A (length=276) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQ
AFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIET
KFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFG
LATVKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVL
YELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAEC
LKKKRDERPLFPQILASIELLARSLP

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

6pp9 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	6pp9 Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Resolution	2.59 Å
Binding residue (original residue number in PDB)	N581 D594
Binding residue (residue number reindexed from 1)	N135 D148
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)	D130 K132 N134 N135 D148 S170
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:6pp9, PDBe:6pp9, PDBj:6pp9
PDBsum	6pp9
PubMed	31581174
UniProt	P15056\|BRAF_HUMAN Serine/threonine-protein kinase B-raf (Gene Name=BRAF)

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