2026-10-31_00000145|ligand|15FD

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004684; X-ray diffraction 0.98Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DWT

InChI=1S/C16H24N6O2/c1-9(2)12(6-23)22-14-10-5-11(21-13(10)19-8-20-14)15(24)18-7-16(17)3-4-16/h5,8-9,12,23H,3-4,6-7,17H2,1-2H3,(H,18,24)(H2,19,20,21,22)/t12-/m0/s1

CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)C(=O)NCC3(CC3)N
Non polymer #3 CL

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

[Cl-]
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Reference