2025-06-07_00000099|ligand|7HF2

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004062; X-ray diffraction 0.98Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BAN

InChI=1S/C12H16N4O/c1-8(17)10-3-2-6-16(10)12-9-4-5-13-11(9)14-7-15-12/h4-5,7-8,10,17H,2-3,6H2,1H3,(H,13,14,15)/t8-,10-/m1/s1

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

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

[Cl-]
Download coordinates
Download coordinates
Reference