2026-01-24_00000015|ligand|13RW

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006354; X-ray diffraction 1.08Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1CX5

InChI=1S/C19H21N5O/c1-19(2)9-8-14(25)24(19)23-18-15-13-5-3-4-12(11-6-7-11)16(13)22-17(15)20-10-21-18/h3-5,10-11H,6-9H2,1-2H3,(H2,20,21,22,23)

CC1(CCC(=O)N1Nc2c3c4cccc(c4[nH]c3ncn2)C5CC5)C
Non polymer #3 CL

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

[Cl-]
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Reference