Structure of PDB 3ptg Chain A

Receptor sequence
>3ptgA (length=340) Species: 9606 (Homo sapiens) [Search protein sequence]
NQFYSVEVGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKL
SRPFQNQTHAKRAYRELVLMKCVNHKNIISLLNVFTPQKTLEEFQDVYLV
MELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNI
VVKSDCTLKILDFGLAVTRYYRAPEVILGMGYKENVDIWSVGCIMGEMVR
HKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRNYVENRPKYAGLT
FPKLFPDSLFPAHNKLKASQARDLLSKMLVIDPAKRISVDDALQHPYINV
WYDPAEVEAPPPQIYDKQLDEREHTIEEWKELIYKEVMNS
3D structure
PDB3ptg Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor.
ChainA
Resolution2.43 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D189 K191 N194 D207 T226
Catalytic site (residue number reindexed from 1) D144 K146 N149 D162 T168
Enzyme Commision number 2.7.11.24: mitogen-activated 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 M159 R165 Y168 K198 S199 D200 C201 W362 E367 M114 R120 Y123 K153 S154 D155 C156 W301 E306
BS02 932 A I70 V78 A91 E147 L148 M149 A151 N152 V196 L206 I25 V33 A46 E102 L103 M104 A106 N107 V151 L161 MOAD: ic50=25nM
PDBbind-CN: -logKd/Ki=7.60,IC50=25nM
BindingDB: IC50=<100nM
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:3ptg, PDBe:3ptg, PDBj:3ptg
PDBsum3ptg
PubMed21316234
UniProtP53779|MK10_HUMAN Mitogen-activated protein kinase 10 (Gene Name=MAPK10)

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