Brand  (β version)

PDB ID: 4D0X

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Ligands
Code Name Style Show Link
953 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1h-pyrrole-3-carboxamide PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
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PTR O-phosphotyrosine
Glycosylation
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Structure summary

Code : 4D0X   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
Release Data : 2014-07-23
Compound :
mol_id molecule chains synonym
1 TYROSINE-PROTEIN KINASE JAK2 A JANUS KINASE 2, JAK-2
ec: 2.7.10.2
fragment: KINASE DOMAIN, RESIDUES 835-1132
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN SPODOPTERA FRUGIPERDA  (taxid:7108)
expression_system_common: FALL ARMYWORM
expression_system_cell_line: Sf21
expression_system_vector_type: BACULOVIRUS
Authors : Canevari, G., Fasolini, M., Bertrand, J., Brasca, M.G., Nesi, M., Avanzi, N., Ballinari, D., Bandiera, T., Bindi, S., Carenzi, D., Casero, D., Ceriani, L., Ciomei, M., Cirla, A., Colombo, M., Cribioli, S., Cristiani, C., Della Vedova, F., Fachin, G., Felder, E.R., Galvani, A., Isacchi, A., Mirizzi, D., Motto, I., Panzeri, A., Pesenti, E., Vianello, P., Gnocchi, P., Donati, D.
Keywords : TRANSFERASE, DRUG DISCOVERY, PROTEIN KINASE INHIBITORS, STRUCTURE-ACTIVITY RELATIONSHIP, POLYCYTHEMIA VERA, TUMOUR CELL PROLIFERATION INHIBITION, ANTI-CANCER AGENTS
Exp. method : X-RAY DIFFRACTION ( 1.82 Å )
Citation :

Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.

Brasca, M.G.,Nesi, M.,Avanzi, N.  et al.
(2014)  Bioorg.Med.Chem.  22 : 4998

PubMed: 25009002
DOI: 10.1016/J.BMC.2014.06.025

Reaction

Chain : A
UniProt : O60674 (JAK2_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:7615558, PubMed:9618263
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