2026-10-31_00000390
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ligand
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15OP
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004993;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQ3
InChI=1S/C17H15N5O2/c23-17-22(13-3-1-2-4-14(13)24-17)11-6-8-21(9-11)16-12-5-7-18-15(12)19-10-20-16/h1-5,7,10-11H,6,8-9H2,(H,18,19,20)/t11-/m0/s1
InChI=1S/C17H15N5O2/c23-17-22(13-3-1-2-4-14(13)24-17)11-6-8-21(9-11)16-12-5-7-18-15(12)19-10-20-16/h1-5,7,10-11H,6,8-9H2,(H,18,19,20)/t11-/m0/s1
SMILES: c1ccc2c(c1)N(C(=O)O2)[C@H]3CCN(C3)c4c5cc[nH]c5ncn4
c1ccc2c(c1)N(C(=O)O2)[C@H]3CCN(C3)c4c5cc[nH]c5ncn4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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