Brand  (β version)

PDB ID: 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
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PTR O-phosphotyrosine
Glycosylation
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Structure summary

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

PubMed: 22591402
DOI: 10.1021/jm300438j

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.