2024-03-09_00000199|medium|8TZ1

Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with Ribavirin; Electron microscopy 2.54Å

Protein #1 715 residues (75% resolved)

Raw Sequence ...

MDYKDDDDKLEATMAMSSKISVELQRVAALPAQGCSNTGFQNDEDGFENQNPSGNDHSLRNRVVQNREHENGKQVEEHITIGQDSLRKDEEEEDDQETHRKGCLERMCGRMSDFCREHKTTLRYIIWGILIAGYLALVIAACVMNFHRALPLFVITVVAIFFVVWDHLMAKYESQIARFLSPGQRLLDSHWFWLKWVIWGCLILGVILWLVFDTAKLGQQQLVSFGGLIIYTSLTFLFSKHPTKVYWRPVFWGIGLQFLLGLLILRTEPGFMAFDWLGKQVQTFLGYSDAGASFVFGEKYTDHFFAFKVLPIVIFFSTVMSMLYYLGLMQWIIRKVGWVMLVTMGTSPVESVVASGNIFIGQTESPLLVRPYLPYVTKSELHAIMTAGFSTIAGSVLGAYISFGVSSSHLLTASVMSAPAALAISKLFWPETETPKINLKNAMKMESGDSRNLLEAATQGASSSISLVANIAVNLIAFLALLSFMNSALSWLGNMFDYPQLSFEVICSYVFMPFAFMMGVDWQDSFMVAKLIGYKTFFNEFVAYQQLSKLISLRQVGGPKFVDGVQQYMSMRSEAISTYALCGFANFGSLGIVIGGLTSMAPSRKRDITAGAMRALIAGTIACFLTACIAGMLTNTPVDINCHHILENAFNSGLVRNTTNVVSCCQGLLSSAVVKGPGEVIPTGNHSLYSLKNCCNLLNTPTLNCSWIPNVLSNS

Canonical Sequence ...

Non polymer #2 LBN

InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1

InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1

SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=CCCCCCCCC

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=CCCCCCCCC

Non polymer #3 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Non polymer #4 RBV

InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1

SMILES: c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N

c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N

Biounit #1 homo-trimer

Reference