Brand  (β version)

PDB ID: 4EHZ

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
JAK 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine PoSSuM
EDO 1,2-ethanediol PoSSuM
Non-standard Residues
Code Name Show
PTR O-phosphotyrosine
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 4EHZ   PDBj   RCSB PDB   PDBe
Header : Transferase/Transferase Inhibitor
Title : The Jak1 kinase domain in complex with inhibitor
Release Data : 2012-07-04
Compound :
mol_id molecule chains synonym
1 Tyrosine-protein kinase JAK1 A,B,C,D 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
Authors : Lupardus, P.J., Steffek, M.
Keywords : kinase, Transferase-Transferase Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.174 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, C, D
UniProt : P23458 (JAK1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein] 2.7.10.2 PROSITE-ProRule:PRU10028, PubMed:1848670, PubMed:7615558
-