2026-10-31_00000152
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ligand
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15FK
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004796;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D0A
InChI=1S/C14H16N4O2/c19-6-9-5-14(2-3-14)7-18(9)13(20)11-10-1-4-15-12(10)17-8-16-11/h1,4,8-9,19H,2-3,5-7H2,(H,15,16,17)/t9-/m0/s1
InChI=1S/C14H16N4O2/c19-6-9-5-14(2-3-14)7-18(9)13(20)11-10-1-4-15-12(10)17-8-16-11/h1,4,8-9,19H,2-3,5-7H2,(H,15,16,17)/t9-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)C(=O)N3CC4(CC4)C[C@H]3CO
c1c[nH]c2c1c(ncn2)C(=O)N3CC4(CC4)C[C@H]3CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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