Het-PDB Navi2 (PDB: 4FK6)

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Ligands
Code	Name		Style	Show	Link
0UJ	N-({1-[(1r,2r,4s)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridin-2-yl}methyl)methanesulfonamide				PoSSuM

Non-standard Residues
Code	Name	Show
PTR	O-phosphotyrosine

Glycosylation
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Modification
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Download interaction data: 4FK6

Code :

4FK6 PDBj RCSB PDB PDBe

Header :

TRANSFERASE/TRANSFERASE INHIBITOR

Title :

JAK1 kinase (JH1 domain) in complex with compound 72

Release Data :

2012-11-07

Compound :

mol_id	molecule	chains	synonym
1	Tyrosine-protein kinase JAK1	A,B	Janus kinase 1, JAK-1
	ec: 2.7.10.2 fragment: JH1 (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

Authors :

Eigenbrot, C., Steffek, M.

Keywords :

protein kinase, phospho transfer, phospho tyrosine, TRANSFERASE-TRANSFERASE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 2.20 Å )

Citation :

Structure-based discovery of C-2 substituted imidazo-pyrrolopyridine JAK1 inhibitors with improved selectivity over JAK2.

Labadie, S.,Dragovich, P.S.,Barrett, K. et al.
(2012) Bioorg.Med.Chem.Lett. 22 : 7627 - 7633

Chain :

A, B

UniProt :

P23458 (JAK1_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H(+)	2.7.10.2	PROSITE-ProRule:PRU10028, PubMed:1848670, PubMed:7615558
	-	PROSITE-ProRule:PRU10028, PubMed:1848670, PubMed:7615558
Cofactor:	Evidence:	Note:
Mg(2+)	ECO:0000305 \| PubMed:7615558	Mn(2+) was used in the in vitro kinase assay but Mg(2+) is likely to be the in vivo cofactor.

PDB ID: 4FK6