2025-06-07_00000121|ligand|7HFO

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004309; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BBP

InChI=1S/C14H17F3N4O/c15-14(16,17)9-2-1-4-13(22,6-9)7-19-12-10-3-5-18-11(10)20-8-21-12/h3,5,8-9,22H,1-2,4,6-7H2,(H2,18,19,20,21)/t9-,13+/m1/s1

c1c[nH]c2c1c(ncn2)NC[C@@]3(CCC[C@H](C3)C(F)(F)F)O
Non polymer #3 CL

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

[Cl-]
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Reference