2026-10-31_00000111|ligand|15DV

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004291; X-ray diffraction 0.94Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D4V

InChI=1S/C16H16FN5O2/c17-9-1-2-10-11(7-9)21-14-13(10)15(20-8-19-14)22-5-4-18-16(24)12(22)3-6-23/h1-2,7-8,12,23H,3-6H2,(H,18,24)(H,19,20,21)/t12-/m1/s1

c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCNC(=O)[C@H]4CCO
Non polymer #3 CL

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

[Cl-]
Download coordinates
Download coordinates
Reference