4ivc Summary


JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE

The structure was published by Zak, M., Hurley, C.A., Ward, S.I., et al., Xiao, Y., Yang, J., and Kulagowski, J.J., in 2013 in a paper entitled "Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.35 Å and deposited in 2013.

The experimental data on which the structure is based was also deposited.

This PDB entry contains multiple copies of the structure of Tyrosine-protein kinase JAK1.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule has more than one probable quaternary state observed. For more details see the quaternary structure page.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):

Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A Tyrosine-protein kinase JAK1 P23458 (854-1154) (JAK1_HUMAN)search Homo sapienssearch < 90% 302 97%
B Tyrosine-protein kinase JAK1 P23458 (854-1154) (JAK1_HUMAN)search Homo sapienssearch < 90% 302 97%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P23458 (854 - 1154) Tyrosine-protein kinase JAK1 Homo sapiens

Chain Sequence family (Pfam)
A, B Protein tyrosine kinasesearch

Chain ID Molecular function (GO) Biological process (GO)
A, B (P23458) transferase activity, transferring phosphorus-containing groupssearch ATP bindingsearch protein tyrosine kinase activitysearch protein kinase activitysearch protein serine/threonine kinase activitysearch protein phosphorylationsearch regulation of signal transductionsearch

Chain InterPro annotation
A, B Protein kinase domainsearch Serine-threonine/tyrosine-protein kinase catalytic domainsearch Tyrosine-protein kinase, active sitesearch Protein kinase-like domainsearch Protein kinase, ATP binding sitesearch Tyrosine-protein kinase, catalytic domainsearch