8BA4

Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib

Summary for 8BA4

Entry DOI	10.2210/pdb8ba4/pdb
Descriptor	Tyrosine-protein kinase JAK2, 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine (3 entities in total)
Functional Keywords	janus kinase, pseudokinase, inhibitor complex, jak2, jh2, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	66844.65
Authors	Haikarainen, T.,Silvennoinen, O. (deposition date: 2022-10-11, release date: 2023-02-01, Last modification date: 2024-02-07)
Primary citation	Virtanen, A.T.,Haikarainen, T.,Sampathkumar, P.,Palmroth, M.,Liukkonen, S.,Liu, J.,Nekhotiaeva, N.,Hubbard, S.R.,Silvennoinen, O. Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16:-, 2023 Cited by PubMed: 36678572 DOI: 10.3390/ph16010075 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation