Structure of PDB 4afj Chain A

Receptor sequence
>4afjA (length=344) Species: 9606 (Homo sapiens) [Search protein sequence]
KVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIK
KVLQFKNRELQIMRKLDHCNIVRLRYFFYSSKKDEVYLNLVLDYVPETVY
RVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLD
PDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDV
WSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTE
FKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFF
DELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARI
3D structure
PDB4afj 5-Aryl-4-Carboxamide-1,3-Oxazoles: Potent and Selective Gsk-3 Inhibitors.
ChainA
Resolution1.98 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D181 K183 N186 D200 S219
Catalytic site (residue number reindexed from 1) D141 K143 N146 D160 S179
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
2.7.11.26: [tau protein] kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 peptide A Y216 I228 F229 G262 V263 V267 T275 Y288 E290 K292 F293 Y176 I188 F189 G222 V223 V227 T235 Y248 E250 K252 F253
BS02 SJJ A F67 A83 Y134 V135 P136 L188 D200 F32 A48 Y94 V95 P96 L148 D160 MOAD: ic50=398nM
PDBbind-CN: -logKd/Ki=6.40,IC50=398nM
BindingDB: IC50=1995nM
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
View graph for
Biological Process
External links
PDB RCSB:4afj, PDBe:4afj, PDBj:4afj
PDBsum4afj
PubMed22310227
UniProtP49841|GSK3B_HUMAN Glycogen synthase kinase-3 beta (Gene Name=GSK3B)

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