6VCV

Aspergillus fumigatus FKBP12 protein bound with APX879 in P1 space group

Summary for 6VCV

• Entry DOI: 10.2210/pdb6vcv/pdb
• Related: 5hwb 5hwc
• Descriptor: FK506-binding protein 1A, N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-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-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide (3 entities in total)
• Functional Keywords: fk506-binding protein 1a, fkbp12, apx879, isomerase
• Biological source: Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)
• Total number of polymer chains: 2
• Total formula weight: 26572.13

Authors

Gobeil, S.,Spicer, L. (deposition date: 2019-12-23, release date: 2020-12-16, Last modification date: 2023-10-11)

• Primary citation: Gobeil, S.M.,Bobay, B.G.,Juvvadi, P.R.,Cole, D.C.,Heitman, J.,Steinbach, W.J.,Venters, R.A.,Spicer, L.D.; Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.; Mbio, 12:e0300021-e0300021, 2021; PubMed: 34809463; DOI: 10.1128/mBio.03000-21

Experimental method

X-RAY DIFFRACTION (1.6 Å)