2026-10-31_00000085|ligand|15CV

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003864; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DT2

InChI=1S/C14H23N5O2/c1-4-15-13(20)18-11-8-12(17-9-16-11)19-7-5-6-10(19)14(2,3)21/h8-10,21H,4-7H2,1-3H3,(H2,15,16,17,18,20)/t10-/m1/s1

CCNC(=O)Nc1cc(ncn1)N2CCC[C@@H]2C(C)(C)O
Non polymer #3 CL

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

[Cl-]
Download coordinates
Download coordinates
Reference