2026-10-31_00000175
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ligand
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15GH
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004870;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DX4
InChI=1S/C11H12N4O2/c1-11(17)4-15(5-11)10(16)8-7-2-3-12-9(7)14-6-13-8/h2-3,6,17H,4-5H2,1H3,(H,12,13,14)
InChI=1S/C11H12N4O2/c1-11(17)4-15(5-11)10(16)8-7-2-3-12-9(7)14-6-13-8/h2-3,6,17H,4-5H2,1H3,(H,12,13,14)
SMILES: CC1(CN(C1)C(=O)c2c3cc[nH]c3ncn2)O
CC1(CN(C1)C(=O)c2c3cc[nH]c3ncn2)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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