Het-PDB Navi2 (PDB: 4E5W)

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Ligands
Code	Name		Style	Show	Link
0NT	[4-(imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-yl)piperidin-1-yl][(2s)-1-(propan-2-yl)pyrrolidin-2-yl]methanone				PoSSuM
PEG	Di(hydroxyethyl)ether				PoSSuM

Non-standard Residues
Code	Name	Show
PTR	O-phosphotyrosine

Glycosylation
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Modification
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Download interaction data: 4E5W

Code :

4E5W PDBj RCSB PDB PDBe

Header :

TRANSFERASE/TRANSFERASE INHIBITOR

Title :

JAK1 kinase (JH1 domain) in complex with compound 26

Release Data :

2012-05-30

Compound :

mol_id	molecule	chains	synonym
1	Tyrosine-protein kinase JAK1	A,B	Janus kinase 1, JAK-1
	ec: 2.7.10.2 fragment: kinase domain, UNP residues 854-1154

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Spodoptera frugiperda (taxid:7108)
	gene: JAK1, JAK1A, JAK1B expression_system_common: Fall armyworm expression_system_vector_type: Baculovirus

Authors :

Murray, J.M.

Keywords :

JAK1, kinase domain, kinase, TRANSFERASE-TRANSFERASE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 1.860 Å )

Citation :

Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.

Kulagowski, J.J.,Blair, W.,Bull, R.J. et al.
(2012) J.Med.Chem. 55 : 5901 - 5921

Chain :

A, B

UniProt :

P23458 (JAK1_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein]	2.7.10.2	PROSITE-ProRule:PRU10028, PubMed:1848670, PubMed:7615558
	-	PROSITE-ProRule:PRU10028, PubMed:1848670, PubMed:7615558

PDB ID: 4E5W