Structure of PDB 6cq4 Chain A

Receptor sequence

>6cq4A (length=604) Species: 9606 (Homo sapiens) [Search protein sequence]

AMQSTSNHLWLLSDILGQGATANVFRGRHKKTGDLFAIKVFNNVQMREFE
VLKKLNHKNIVKLFAIEEETTTRHKVLIMEFCPCGSLYTVLEEPSNAYGL
PESEFLIVLRDVVGGMNHLRENGIVHRDIKPGNIMRVIGEDGQSVYKLTD
FGTEEYLHPDMYEDLWSIGVTFYHAATGSLPFRPFEGPRRNKEVMYKIIT
GKPSGAISGVQKAENGPIDWSGDMPVSCSLSRGLQVLLTPVLANILEADQ
EKCWGFDQFFAETSDILHRMVIHVFSLQQMTAHKIYIHSYNTATIFHELV
YKQTKIISSNQELIYEGRRLVLEPGRLAQHFPKTTEENPIFVVSREPLNT
IGLIYEKISLPKVHPRYDLDGDASMAKAITGVVCYACRIASTLLLYQELM
RKGIRWLIELIKDDYNETVHKKTEVVITLDFCIRNIEKTVELGEISDIHT
KLLRLSSSQGTIETSLQDIDSRLSPGGSLADAWAHQEGTHPKDRNVEKLQ
VLLNCMTEIYYQFKKDKAERRLAYNEEQIHKFDKQKLYYHATKAMTHFTD
ECVKKYEAFLNKSEEWIRKMLHLRKQLLSLTNQCFDIEEEVSKYQEYTNE
LQET

3D structure

PDB

6cq4 Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.

Chain

Resolution

3.2 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	D135 K137 N140 D157 T176
Catalytic site (residue number reindexed from 1)	D128 K130 N133 D150 T153
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	F8P	A	L15 A36 M86 F88 C89 P90 M142 T156	L16 A37 M79 F81 C82 P83 M135 T149	PDBbind-CN: -logKd/Ki=4.85,IC50=14uM BindingDB: IC50=370nM

Gene Ontology

	Molecular Function
GO:0003676	nucleic acid binding
GO:0004672	protein kinase activity
GO:0004674	protein serine/threonine kinase activity
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0019903	protein phosphatase binding
GO:0042802	identical protein binding
GO:0044024	histone H2AS1 kinase activity
GO:0051219	phosphoprotein binding
GO:0106310	protein serine kinase activity

	Biological Process
GO:0002218	activation of innate immune response
GO:0002753	cytoplasmic pattern recognition receptor signaling pathway
GO:0006338	chromatin remodeling
GO:0006468	protein phosphorylation
GO:0006954	inflammatory response
GO:0007249	canonical NF-kappaB signal transduction
GO:0009615	response to virus
GO:0010468	regulation of gene expression
GO:0010508	positive regulation of autophagy
GO:0010628	positive regulation of gene expression
GO:0010629	negative regulation of gene expression
GO:0016236	macroautophagy
GO:0016239	positive regulation of macroautophagy
GO:0016310	phosphorylation
GO:0018105	peptidyl-serine phosphorylation
GO:0018107	peptidyl-threonine phosphorylation
GO:0032479	regulation of type I interferon production
GO:0032481	positive regulation of type I interferon production
GO:0032727	positive regulation of interferon-alpha production
GO:0032728	positive regulation of interferon-beta production
GO:0033138	positive regulation of peptidyl-serine phosphorylation
GO:0034142	toll-like receptor 4 signaling pathway
GO:0043123	positive regulation of canonical NF-kappaB signal transduction
GO:0044565	dendritic cell proliferation
GO:0045087	innate immune response
GO:0045944	positive regulation of transcription by RNA polymerase II
GO:0050830	defense response to Gram-positive bacterium
GO:0051607	defense response to virus
GO:0060337	type I interferon-mediated signaling pathway
GO:0060340	positive regulation of type I interferon-mediated signaling pathway
GO:0140374	antiviral innate immune response
GO:0140896	cGAS/STING signaling pathway
GO:1904262	negative regulation of TORC1 signaling
GO:1904263	positive regulation of TORC1 signaling
GO:1904417	positive regulation of xenophagy

	Cellular Component
GO:0005654	nucleoplasm
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0043231	intracellular membrane-bounded organelle
GO:1902554	serine/threonine protein kinase complex

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:6cq4, PDBe:6cq4, PDBj:6cq4
PDBsum	6cq4
PubMed	30270002
UniProt	Q9UHD2\|TBK1_HUMAN Serine/threonine-protein kinase TBK1 (Gene Name=TBK1)

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