Structure of PDB 6fd3 Chain A Binding Site BS01

Receptor Information
>6fd3 Chain A (length=297) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMTDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTALDIATGQEV
AIKQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEY
LAGGSLTDVVTETCMDEGQIAAVCRECLQALDFLHSNQVIHRDIKSDNIL
LGMDGSVKLTDFGFCAQITPEQSKRSTMVGTPYWMAPEVVTRKAYGPKVD
IWSLGIMAIEMVEGEPPYLNENPLRALYLIATNGTPELQNPERLSAVFRD
FLNRCLEMDVDRRGSAKELLQHPFLKLDKPLSSLTPLIIAAKEAIKN
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 chain6fd3 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fd3 Solution structures and biophysical analysis of full-length group A PAKs reveal they are monomeric and auto-inhibited incis.
Resolution1.52 Å
Binding residue
(original residue number in PDB)		N407 D420
Binding residue
(residue number reindexed from 1)		N148 D161
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D402 K404 D406 N407 D420 P429 T440
Catalytic site (residue number reindexed from 1) D143 K145 D147 N148 D161 P170 T181
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine 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:6fd3, PDBe:6fd3, PDBj:6fd3
PDBsum6fd3
PubMed30858169
UniProtO75914|PAK3_HUMAN Serine/threonine-protein kinase PAK 3 (Gene Name=PAK3)

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