Het-PDB Navi2 (PDB: 3S3I)

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Ligands
Code	Name		Style	Show	Link
CQ0	3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide				PoSSuM

Non-standard Residues
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Download interaction data: 3S3I

Code :

3S3I PDBj RCSB PDB PDBe

Header :

TRANSFERASE/TRANSFERASE INHIBITOR

Title :

p38 kinase crystal structure in complex with small molecule inhibitor

Release Data :

2012-04-04

Compound :

mol_id	molecule	chains	synonym
1	Mitogen-activated protein kinase 14	A	MAP kinase 14, MAPK 14, Cytokine suppressive anti-inflammatory drug-binding protein, CSAID-binding protein, CSBP, MAP kinase MXI2, MAX-interacting protein 2, Mitogen-activated protein kinase p38 alpha, MAP kinase p38 alpha, SAPK2A
	ec: 2.7.11.24

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:562)
	gene: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2 expression_system_strain: DH10B-R expression_system_vector_type: plasmid expression_system_plasmid: Sareum proprietary pT7-NH2 vector

Authors :

Segarra, V., Aiguade, J., Roca, R., Fisher, M., Lamers, M.

Keywords :

p38 MAP kinase, inhibitor, TRANSFERASE-TRANSFERASE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 1.80 Å )

Citation :

Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors.

Aiguade, J.,Balague, C.,Carranco, I. et al.
(2012) Bioorg.Med.Chem.Lett. 22 : 3431 - 3436

Chain :

UniProt :

Q16539 (MK14_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein]	2.7.11.24	PubMed:11010976, PubMed:35857590
	left-to-right	PubMed:11010976, PubMed:35857590
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein]	2.7.11.24	PubMed:11010976, PubMed:35857590
	left-to-right	PubMed:11010976, PubMed:35857590

PDB ID: 3S3I