2026-10-31_00000411
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ligand
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15PK
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005540;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D4H
InChI=1S/C13H14N4O3/c18-12(17-8-2-1-7(5-8)13(19)20)10-9-3-4-14-11(9)16-6-15-10/h3-4,6-8H,1-2,5H2,(H,17,18)(H,19,20)(H,14,15,16)/t7-,8+/m1/s1
InChI=1S/C13H14N4O3/c18-12(17-8-2-1-7(5-8)13(19)20)10-9-3-4-14-11(9)16-6-15-10/h3-4,6-8H,1-2,5H2,(H,17,18)(H,19,20)(H,14,15,16)/t7-,8+/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)C(=O)N[C@H]3CC[C@H](C3)C(=O)O
c1c[nH]c2c1c(ncn2)C(=O)N[C@H]3CC[C@H](C3)C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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