Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520. Determined by X-ray diffraction at 2.45 Å resolution. Released 3 Aug 2022.
Explore 7U0T in 3D Show helices and sheets RCSB PDB PDBe
7U0T contains 19 α-helices and 14 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | -45--43 | 3 | |
| α-helix | -40--21 | 20 | |
| α-helix | 16-27 | 12 | |
| β-strand | 37 | 1 | 1 |
| α-helix | 39-42 | 4 | |
| α-helix | 46-48 | 3 | |
| α-helix | 54-61 | 8 | |
| β-strand | 69 | 1 | 1 |
| α-helix | 71-78 | 8 | |
| α-helix | 79-81 | 3 | |
| β-strand | 82 | 1 | 2 |
| α-helix | 87-98 | 12 | |
| β-strand | 105-106 | 2 | 3 |
| α-helix | 108-119 | 12 | |
| α-helix | 120-122 | 3 | |
| α-helix | 125-139 | 15 | |
| β-strand | 147-148 | 2 | 3 |
| α-helix | 149-156 | 8 | |
| α-helix | 157-159 | 3 | |
| α-helix | 161-163 | 3 | |
| β-strand | 167 | 1 | 2 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 2-8 | 7 | 4 |
| β-strand | 21-30 | 10 | 4 |
| β-strand | 35-38 | 4 | 4 |
| α-helix | 39-42 | 4 | |
| β-strand | 46-49 | 4 | 4 |
| α-helix | 57-64 | 8 | |
| β-strand | 71-76 | 6 | 4 |
| α-helix | 78-80 | 3 | |
| β-strand | 87 | 1 | 5 |
| β-strand | 91 | 1 | 5 |
| α-helix | 92 | 1 | |
| β-strand | 97-106 | 10 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform,Calcineurin subunit B type… | A | protein | 244 | Homo sapiens | P48454 (AlphaFold model), P63098 (AlphaFold model) |
| Peptidylprolyl isomerase | B | protein | 150 | Homo sapiens | P62942 (AlphaFold model) |
>7U0T_1 Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform,Calcineurin subunit B type 1 fusion (chains A) MSGSHHHHHHHHGGENLYFQGSSPHPYWLPNFMDVFTWSLPFVGEKVTEMLVNVLNICGG GSSGGSTSGGSSGGGGNEASYPLEMCSHFDADEIKRLGKRFKKLDLDNSGSLSVEEFMSL PELQQNPLVQRVIDIFDTDGNGEVDFKEFIEGVSQFSVKGDKEQKLRFAFRIYDMDKDGY ISNGELFQVLKMMVGNNLKDTQLQQIVDKTIINADKDGDGRISFEEFCAVVGGLDIHKKM VVDV
>7U0T_2 Peptidylprolyl isomerase (chains B) MSGSHHHHHHHHGGENLYFQGSGLNDIFEAQKIEWHEGSSGSSGVQVETISPGDGRTFPK RGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTIS PDYAYGATGHPGIIPPHATLVFDVELLKLE
| ID | Name | Formula | Copies |
|---|---|---|---|
| KXX | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E… | C43 H69 N O12 | 1 |
| CA | Calcium ion | Ca | 4 |
Water and common crystallization additives (EDO) are not listed.
Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus. Hoy, M.J., Park, E., Lee, H. et al. mBio (2022) 13:e0104922-e0104922. DOI 10.1128/mbio.01049-22 · PubMed
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