4ivd Summary details

pdbe.org/4ivd/summary_details
spacer JAK1 kinase (JH1 domain) in complex with compound 34
Summary
Header TRANSFERASE/TRANSFERASE INHIBITORsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 1.93 Å, R-factor: 20.377%, Free R-factor: 24.696%, Spacegroup: P 1 21 1
Released 22/05/2013, deposition: 22/01/2013, last revision: 03/07/2013
Authors Eigenbrot, C.search; Steffek, M.search
Primary citation Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.MED.CHEM.search vol:56, pag:4764-4785 (2013) [PubMed 23659214 ]search
Keywords PROTEIN KINASEsearch, PHOSPHO TRANSFERsearch, PHOSPHO TYROSINEsearch, TRANSFERASE- TRANSFERASE INHIBITOR COMPLEXsearch, TRANSFERASE-TRANSFERASE INHIBITOR complexsearch
EC 2.7.10.2 ExPASy BRENDA search (B A)
Organism Homo sapiens(human) 9606search(A B)
UniProt P23458search (A B)
Solvent A, B
Related entries 4iva, 4ivb, 4ivc
Polymers
Chain Id Name Type UniProt Residues in sample sequence % of sample sequence observed
A, B Tyrosine-protein kinase JAK1 Protein P23458 (JAK1_HUMAN)search
302 96%
Heterogens
Chain Id Name Ligands
A, B 3-(TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)PROPANENITRILE 15T search
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