2026-10-31_00000091
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ligand
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15DB
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004098;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQS
InChI=1S/C16H17N5OS/c1-16(2)6-5-13(22)21(16)20-15-10-8-11(12-4-3-7-23-12)19-14(10)17-9-18-15/h3-4,7-9H,5-6H2,1-2H3,(H2,17,18,19,20)
InChI=1S/C16H17N5OS/c1-16(2)6-5-13(22)21(16)20-15-10-8-11(12-4-3-7-23-12)19-14(10)17-9-18-15/h3-4,7-9H,5-6H2,1-2H3,(H2,17,18,19,20)
SMILES: CC1(CCC(=O)N1Nc2c3cc([nH]c3ncn2)c4cccs4)C
CC1(CCC(=O)N1Nc2c3cc([nH]c3ncn2)c4cccs4)C
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%