2026-01-24_00000017|ligand|13RY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006372; X-ray diffraction 1.01Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1CX7

InChI=1S/C16H14F3N5O2/c1-15(2)6-26-14(25)24(15)23-13-10-8-4-3-5-9(16(17,18)19)11(8)22-12(10)20-7-21-13/h3-5,7H,6H2,1-2H3,(H2,20,21,22,23)

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

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

[Cl-]
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Reference