2025-06-07_00000071|ligand|7HEA

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003666; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1A9M

InChI=1S/C13H18N4O/c1-2-11(18)10-4-3-7-17(10)13-9-5-6-14-12(9)15-8-16-13/h5-6,8,10-11,18H,2-4,7H2,1H3,(H,14,15,16)/t10-,11-/m1/s1

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

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

[Cl-]
Download coordinates
Download coordinates
Reference