6wpp

HUMAN NIK IN COMPLEX WITH LIGAND COMPOUND XHUMAN NIK IN COMPLEX WITH LIGAND COMPOUND X

Structural highlights 6wpp is a 2 chain structure with sequence from Human. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: Gene: MAP3K14, NIK (HUMAN) Activity: Mitogen-activated protein kinase kinase kinase, with EC number 2.7.11.25 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [M3K14_HUMAN] Lymphotoxin beta-activated kinase which seems to be exclusively involved in the activation of NF-kappa-B and its transcriptional activity. Promotes proteolytic processing of NFKB2/P100, which leads to activation of NF-kappa-B via the non-canonical pathway. Could act in a receptor-selective manner. Publication Abstract from PubMed Relative free energy perturbation (FEP) methods have become increasingly popular within the pharmaceutical industry; however, despite time constraints within drug discovery cycles, caution should be applied in the deployment of such methods as protein preparation and system setup can greatly impact the accuracy of free energy predictions. Impact of Protein Preparation on Resulting Accuracy of FEP Calculations.,Shih AY, Hack M, Mirzadegan T J Chem Inf Model. 2020 Aug 2. doi: 10.1021/acs.jcim.0c00445. PMID:32786514 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Mitogen-activated protein kinase kinase kinase

spinqualitylabelsall models 6wpp, resolution 2.55Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image