2026-01-24_00000006|ligand|13RN

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004214; X-ray diffraction 1.01Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1CXW

InChI=1S/C15H20N6O/c1-9(2)13(7-22)20-15-11-4-12(10-5-18-21(3)6-10)19-14(11)16-8-17-15/h4-6,8-9,13,22H,7H2,1-3H3,(H2,16,17,19,20)/t13-/m0/s1

CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3cnn(c3)C
Non polymer #3 CL

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

[Cl-]
Download coordinates
Download coordinates
Reference