5O9Q

Crystal structure of ScGas2 in complex with compound 6

Summary for 5O9Q

• Entry DOI: 10.2210/pdb5o9q/pdb
• Descriptor: 1,3-beta-glucanosyltransferase GAS2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, ... (4 entities in total)
• Functional Keywords: aspergillus fumigatus, afgel4, scgas2, transglycosylases, glucanosyltransferases, cell wall remodeling, fungal cell wall, transferase
• Biological source: Saccharomyces cerevisiae S288c
• Cellular location: Cell membrane ; Lipid-anchor, GPI-anchor : Q06135
• Total number of polymer chains: 1
• Total formula weight: 63606.07

Authors

Delso, I.,Valero-Gonzalez, J.,Gomollon-Bel, F.,Castro-Lopez, J.,Fang, W.,Navratilova, I.,Van Aalten, D.,Tejero, T.,Merino, P.,Hurtado-Guerrero, R. (deposition date: 2017-06-20, release date: 2018-05-02, Last modification date: 2024-01-17)

• Primary citation: Delso, I.,Valero-Gonzalez, J.,Gomollon-Bel, F.,Castro-Lopez, J.,Fang, W.,Navratilova, I.,van Aalten, D.M.F.,Tejero, T.,Merino, P.,Hurtado-Guerrero, R.; Inhibitors against Fungal Cell Wall Remodeling Enzymes.; ChemMedChem, 13:128-132, 2018; PubMed: 29164827; DOI: 10.1002/cmdc.201700720

Experimental method

X-RAY DIFFRACTION (1.4 Å)