2026-10-31_00000086
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ligand
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15CW
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003869;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DT7
InChI=1S/C12H14BrN5O/c1-12(2)4-3-9(19)18(12)17-11-7-5-8(13)16-10(7)14-6-15-11/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)
InChI=1S/C12H14BrN5O/c1-12(2)4-3-9(19)18(12)17-11-7-5-8(13)16-10(7)14-6-15-11/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)
SMILES: CC1(CCC(=O)N1Nc2c3cc([nH]c3ncn2)Br)C
CC1(CCC(=O)N1Nc2c3cc([nH]c3ncn2)Br)C
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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