Structure of PDB 3kga Chain A

Receptor sequence
>3kgaA (length=290) Species: 9606 (Homo sapiens) [Search protein sequence]
HVKSGLQIKKNAIIDDYKVTSQVLGLGINGKVLQIFNKRTQEKFALKMLQ
DCPKARREVELHWRASQCPHIVRIVDVYENLYAGRKCLLIVMECLDGGEL
FSRIQDRGDQAFTEREASEIMKSIGEAIQYLHSINIAHRDVKPENLLYTS
KRPNAILKLTDFGFAKETTGEKYDKSCDMWSLGVIMYILLCGYPPFYSPG
MKTRIRMGQYEFPNPEWSEVSEEVKMLIRNLLKTEPTQRMTITEFMNHPW
IMQSTKVPQTPLHTSRVLKEDKERWEDVKEEMTSALATMR
3D structure
PDB3kga Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy.
ChainA
Resolution2.55 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D186 K188 N191 D207
Catalytic site (residue number reindexed from 1) D140 K142 N145 D161
Enzyme Commision number 2.7.11.1: non-specific serine/threonine 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 MG A S112 C114 I117 S66 C68 I71
BS02 LX9 A L70 Q80 I81 F82 K89 F90 A91 K93 M138 C140 L141 D207 L24 Q34 I35 F36 K43 F44 A45 K47 M92 C94 L95 D161 PDBbind-CN: -logKd/Ki=7.21,IC50=61nM
BindingDB: IC50=61nM
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:3kga, PDBe:3kga, PDBj:3kga
PDBsum3kga
PubMed20060294
UniProtP49137|MAPK2_HUMAN MAP kinase-activated protein kinase 2 (Gene Name=MAPKAPK2)

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