2026-10-31_00000290|ligand|15KT

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005210; X-ray diffraction 0.98Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DSE

InChI=1S/C14H18N4O2/c1-9(14(19)20-2)11-4-3-7-18(11)13-10-5-6-15-12(10)16-8-17-13/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,15,16,17)/t9-,11+/m0/s1

C[C@@H]([C@H]1CCCN1c2c3cc[nH]c3ncn2)C(=O)OC
Non polymer #3 CL

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

[Cl-]
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Reference