6RT2

Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules designed to investigate the water envelope

Summary for 6RT2

Entry DOI	10.2210/pdb6rt2/pdb
Related	5OML
Descriptor	Peroxin 14, (3~{S})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid, SULFATE ION, ... (5 entities in total)
Functional Keywords	peroxisomal translocation, ppi inhibition, protein-inhibitor complex, signaling protein
Biological source	Trypanosoma brucei brucei
Total number of polymer chains	4
Total formula weight	34023.09
Authors	Napolitano, V.,Ratkova, E.L.,Dawidowski, M.,Dubin, G.,Fino, R.,Popowicz, G.,Sattler, M.,Tetko, I.V. (deposition date: 2019-05-22, release date: 2020-04-08, Last modification date: 2024-01-24)
Primary citation	Ratkova, E.L.,Dawidowski, M.,Napolitano, V.,Dubin, G.,Fino, R.,Ostertag, M.S.,Sattler, M.,Popowicz, G.,Tetko, I.V. Water envelope has a critical impact on the design of protein-protein interaction inhibitors. Chem.Commun.(Camb.), 56:4360-4363, 2020 Cited by PubMed: 32195483 DOI: 10.1039/c9cc07714f PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.3 Å)

Structure validation