7U0S

Crystal Structure of FK506-binding protein 1A from Aspergillus fumigatus Bound to Ascomycin

Summary for 7U0S

• Entry DOI: 10.2210/pdb7u0s/pdb
• Descriptor: FK506-binding protein 1A, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, SULFATE ION, ... (8 entities in total)
• Functional Keywords: ssgcid, ppiase, rapamycin-binding protein, fkbp, peptidyl-prolyl cis-trans isomerase, structural genomics, seattle structural genomics center for infectious disease, antifungal protein
• Biological source: Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)
• Total number of polymer chains: 2
• Total formula weight: 36475.47

Authors

DeBouver, N.D.,Fox III, D.,Hoy, M.J.,Heitman, J.,Lorimer, D.D.,Horanyi, P.S.,Edwards, T.E.,Seattle Structural Genomics Center for Infectious Disease (SSGCID) (deposition date: 2022-02-18, release date: 2022-07-27, Last modification date: 2023-10-18)

• Primary citation: Hoy, M.J.,Park, E.,Lee, H.,Lim, W.Y.,Cole, D.C.,DeBouver, N.D.,Bobay, B.G.,Pierce, P.G.,Fox 3rd, D.,Ciofani, M.,Juvvadi, P.R.,Steinbach, W.,Hong, J.,Heitman, J.; Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus.; Mbio, 13:e0104922-e0104922, 2022; PubMed: 35604094; DOI: 10.1128/mbio.01049-22

Experimental method

X-RAY DIFFRACTION (1.7 Å)