2026-10-31_00000020
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ligand
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15AI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000606;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PR2
InChI=1S/C17H14ClNO5/c18-11-6-4-10(5-7-11)13(8-15(20)21)19-17(22)12-2-1-3-14-16(12)24-9-23-14/h1-7,13H,8-9H2,(H,19,22)(H,20,21)/t13-/m0/s1
InChI=1S/C17H14ClNO5/c18-11-6-4-10(5-7-11)13(8-15(20)21)19-17(22)12-2-1-3-14-16(12)24-9-23-14/h1-7,13H,8-9H2,(H,19,22)(H,20,21)/t13-/m0/s1
SMILES: c1cc(c2c(c1)OCO2)C(=O)N[C@@H](CC(=O)O)c3ccc(cc3)Cl
c1cc(c2c(c1)OCO2)C(=O)N[C@@H](CC(=O)O)c3ccc(cc3)Cl
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%