Brand  (β version)

PDB ID: 4EI4

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Ligands
Code Name Style Show Link
0Q2 (1r,3r)-3-(2-methylimidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(8h)-yl)cyclohexanol PoSSuM
Non-standard Residues
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PTR O-phosphotyrosine
Glycosylation
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Structure summary

Code : 4EI4   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : JAK1 kinase (JH1 domain) in complex with compound 20
Release Data : 2012-07-04
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
Authors : Eigenbrot, C., Steffek, M.
Keywords : protein kinase, phospho-transfer catalyst, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.22 Å )
Citation :

Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.

Zak, M.,Mendonca, R.,Balazs, M.  et al.
(2012)  J.Med.Chem.  55 : 6176 - 6193

PubMed: 22698084
DOI: 10.1021/jm300628c

Reaction

Chain : A, B
UniProt : P23458 (JAK1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H(+) 2.7.10.2 PROSITE-ProRule:PRU10028, PubMed:1848670, PubMed:7615558
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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.