Het-PDB Navi2 (PDB: 5W85)

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Ligands
Code	Name		Style	Show	Link
9YS	6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2s)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-methylpyridine-3-carboxamide				PoSSuM

Non-standard Residues
Code	Name	Show
TPO	Phosphothreonine
SEP	Phosphoserine

Glycosylation
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Download interaction data: 5W85

Code :

5W85 PDBj RCSB PDB PDBe

Header :

TRANSFERASE/TRANSFERASE INHIBITOR

Title :

CRYSTAL STRUCTURE OF IRAK-4 WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 9)

Release Data :

2017-10-11

Compound :

mol_id	molecule	chains	synonym
1	Interleukin-1 receptor-associated kinase 4	A,B	IRAK-4,Renal carcinoma antigen NY-REN-64
	ec: 2.7.11.1 fragment: UNP RESIDUES 154-460

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Spodoptera frugiperda (taxid:7108)
	gene: IRAK4 expression_system_common: FALL ARMYWORM expression_system_vector_type: BACULOVIRUS

Authors :

Sack, J.S.

Keywords :

SERINE/THREONINE PROTEIN KINASE, TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX

Exp. method :

X-RAY DIFFRACTION ( 2.25 Å )

Citation :

Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors.

Bhide, R.S.,Keon, A.,Weigelt, C. et al.
(2017) Bioorg. Med. Chem. Lett. 27 : 4908 - 4913

Chain :

A, B

UniProt :

Q9NWZ3 (IRAK4_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein]	2.7.11.1	-
	-	-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein]	2.7.11.1	-
	-	-

PDB ID: 5W85