2026-10-31_00000224
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ligand
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15IF
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005015;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D1M
InChI=1S/C17H19N5O3S/c18-26(23,24)14-5-3-13(4-6-14)25-10-12-2-1-9-22(12)17-15-7-8-19-16(15)20-11-21-17/h3-8,11-12H,1-2,9-10H2,(H2,18,23,24)(H,19,20,21)/t12-/m0/s1
InChI=1S/C17H19N5O3S/c18-26(23,24)14-5-3-13(4-6-14)25-10-12-2-1-9-22(12)17-15-7-8-19-16(15)20-11-21-17/h3-8,11-12H,1-2,9-10H2,(H2,18,23,24)(H,19,20,21)/t12-/m0/s1
SMILES: c1cc(ccc1OC[C@@H]2CCCN2c3c4cc[nH]c4ncn3)S(=O)(=O)N
c1cc(ccc1OC[C@@H]2CCCN2c3c4cc[nH]c4ncn3)S(=O)(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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