Structure of PDB 7xnc Chain A Binding Site BS03

Receptor Information

>7xnc Chain A (length=311) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LEELELDEQQRKRLEAFLTQKQKVGELKDDDFEKISELGAGNGGVVFKVS
HKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSD
GEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKI
MHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMAVGTRSYMSPERLQGYS
VQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFGPMAIFELLDYIVNEP
PPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDF
AGWLCSTIGLN

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

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

Formula

Name

CALCIUM ION

PDB chain

7xnc Chain A Residue 405 [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	7xnc Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	D190 D208
Binding residue (residue number reindexed from 1)	D154 D172
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.7.12.2: mitogen-activated protein kinase 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:7xnc, PDBe:7xnc, PDBj:7xnc
PDBsum	7xnc
PubMed	36622773
UniProt	Q02750\|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)

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