2026-10-31_00000101|ligand|15DL

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006021; X-ray diffraction 1.01Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DWF

InChI=1S/C15H14FN5O/c1-8-4-5-21(15(8)22)20-14-12-10-3-2-9(16)6-11(10)19-13(12)17-7-18-14/h2-3,6-8H,4-5H2,1H3,(H2,17,18,19,20)/t8-/m0/s1

C[C@H]1CCN(C1=O)Nc2c3c4ccc(cc4[nH]c3ncn2)F
Non polymer #3 CL

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

[Cl-]
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Reference