Structure of PDB 7aqb Chain A Binding Site BS01

Receptor Information
>7aqb Chain A (length=294) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFDLGSRYMDLKPLGNGLVFSAVDNDCDKRVAIKKIVLTDPQSVKHALRE
IKIIRRLDHDNIVKVFEILGPSGSQLTDLTELNSVYIVQEYMETDLANVL
EQGPLLEEHARLFMYQLLRGLKYIHSANVLHRDLKPANLFINTEDLVLKI
GDFGLARIMDHLSEGLVTKWYRSPRLLLSPNNYTKAIDMWAAGCIFAEML
TGKTLFAGAHELEQMQLILESIPVVHEEDRQELLSVIPVYIRNDMTEPHK
PLTQLLPGISREAVDFLEQILTFSPMDRLTAEEALSHPYMSIYS
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 chain7aqb Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7aqb Crystal Structure and Inhibitor Identifications Reveal Targeting Opportunity for the Atypical MAPK Kinase ERK3.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		N157 D171
Binding residue
(residue number reindexed from 1)		N138 D152
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D152 K154 N157 D171 T194
Catalytic site (residue number reindexed from 1) D133 K135 N138 D152 T168
Enzyme Commision number 2.7.11.24: mitogen-activated protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004707 MAP 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:7aqb, PDBe:7aqb, PDBj:7aqb
PDBsum7aqb
PubMed33114754
UniProtQ16659|MK06_HUMAN Mitogen-activated protein kinase 6 (Gene Name=MAPK6)

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