Structure of PDB 5ceq Chain A

Receptor sequence
>5ceqA (length=269) Species: 9606 (Homo sapiens) [Search protein sequence]
LWEVPFEEILDLQWVGSGAQGAVFLGRFHGEEVAVKKVRDLKETDIKHLR
KLKHPNIITFKGVCTQAPCYCILMEFCAQGQLYEVLRAGRPVTPSLLVDW
SMGIAGGMNYLHLHKIIHRDLKSPNMLITYDDVVKISDFGFAGTVAWMAP
EVIRNEPVSEKVDIWSFGVVLWELLTGEIPYKDVDSSAIIWGVGSNSLHL
PVPSSCPDGFKILLRQCWNSKPRNRPSFRQILLHLDIASADVLSTPQETY
FKSQAEWREEVKLHFEKIK
3D structure
PDB5ceq Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
ChainA
Resolution1.911 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D236 K238 P240 N241 D254 T273
Catalytic site (residue number reindexed from 1) D120 K122 P124 N125 D138 T144
Enzyme Commision number 2.7.11.25: mitogen-activated protein kinase kinase 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 50F A G132 G134 V139 A150 M190 F192 C193 G196 Q197 L243 G16 G18 V23 A34 M74 F76 C77 G80 Q81 L127 MOAD: Ki=0.042uM
PDBbind-CN: -logKd/Ki=7.38,Ki=0.042uM
BindingDB: Ki=42nM,IC50=536nM
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:5ceq, PDBe:5ceq, PDBj:5ceq
PDBsum5ceq
PubMed26431428
UniProtQ12852|M3K12_HUMAN Mitogen-activated protein kinase kinase kinase 12 (Gene Name=MAP3K12)

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