Structure of PDB 7sxf Chain A Binding Site BS03

Receptor Information
>7sxf Chain A (length=340) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTVVATLGQGPERSQEVAYTDIKVIGNGSFGVVYQARLRELVAIKKVLQD
KRFKNRELQIMRKLDHCNIVRLRYFFYSSGEDELYLNLVLEYVPETVYRV
ARHFTKAKLTIPILYVKVYMYQLFRSLAYIHSQGVCHRDIKPQNLLVDPD
TAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWS
AGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFK
FPQIKAHPWTKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAHSFFDE
LRCLGTQLPNNRPLPPLFNFSAGELSIQPSLNAILIPPHR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7sxf Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7sxf Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		D327 E331
Binding residue
(residue number reindexed from 1)		D222 E226
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
2.7.11.26: [tau protein] kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7sxf, PDBe:7sxf, PDBj:7sxf
PDBsum7sxf
PubMed36812145
UniProtP49840|GSK3A_HUMAN Glycogen synthase kinase-3 alpha (Gene Name=GSK3A)

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