4XH6
Crystal structure of proto-oncogene kinase Pim1 bound to hispidulin
Summary for 4XH6
| Entry DOI | 10.2210/pdb4xh6/pdb |
| Descriptor | Serine/threonine-protein kinase pim-1, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one (3 entities in total) |
| Functional Keywords | pim1, hispidulin, inhibitor, kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 34263.78 |
| Authors | Su, M.-Y.,Chang, C.-I. (deposition date: 2015-01-05, release date: 2015-08-26, Last modification date: 2023-11-08) |
| Primary citation | Chao, S.-W.,Su, M.-Y.,Chiou, L.-C.,Chen, L.-C.,Chang, C.-I.,Huang, W.-J. Total Synthesis of Hispidulin and the Structural Basis for Its Inhibition of Proto-oncogene Kinase Pim-1 J.Nat.Prod., 78:1969-1976, 2015 Cited by PubMed Abstract: A new method is applied to synthesize hispidulin, a natural flavone with a broad spectrum of biological activities. Hispidulin exhibits inhibitory activity against the oncogenic protein kinase Pim-1. Crystallographic analysis of Pim-1 bound to hispidulin reveals a binding mode distinct from that of quercetin, suggesting that the binding potency of flavonoids is determined by their hydrogen-bonding interactions with the hinge region of the kinase. Overall, this work may facilitate construction of a library of hispidulin-derived compounds for investigating the structure-activity relationship of flavone-based Pim-1 inhibitors. PubMed: 26275107DOI: 10.1021/acs.jnatprod.5b00324 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.04 Å) |
Structure validation
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