6D2I

JAK2 Pseudokinase V617F in complex with AT9283

Summary for 6D2I

DescriptorTyrosine-protein kinase, 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea (2 entities in total)
Functional Keywordskinase, pseudokinase domain, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight63300.74
Authors
Li, Q.,Li, K.,Eck, M.J. (deposition date: 2018-04-13, release date: 2019-03-20)
Primary citation
McNally, R.,Li, Q.,Li, K.,Dekker, C.,Vangrevelinghe, E.,Jones, M.,Chene, P.,Machauer, R.,Radimerski, T.,Eck, M.J.
Discovery and structural characterization of ATP-site ligands for the wild-type and V617F-mutant JAK2 pseudokinase domain.
ACS Chem. Biol., 2019
PubMed: 30763067 (PDB entries with the same primary citation)
DOI: 10.1021/acschembio.8b00722
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3.192 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2885 0.4% 1.0% 6.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6d2i
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Molmil generated image of 6d2i
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Molmil generated image of 6d2i
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More Biological unit images

Molmil generated image of 6d2i
no rotation
Molmil generated image of 6d2i
rotated about x axis by 90°
Molmil generated image of 6d2i
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (6d2i.pdb1.gz [47.75 KB])
Coordinate files for Biological unit (6d2i.pdb2.gz [47.51 KB])