2026-01-24_00000012|ligand|13RT

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006249; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1CX2

InChI=1S/C17H16F2N6O3/c1-17(2)6-28-16(27)25(17)24-14-10-8-4-3-5-9(22-15(26)12(18)19)11(8)23-13(10)20-7-21-14/h3-5,7,12H,6H2,1-2H3,(H,22,26)(H2,20,21,23,24)

CC1(COC(=O)N1Nc2c3c4cccc(c4[nH]c3ncn2)NC(=O)C(F)F)C
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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Reference