2026-10-31_00000206
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ligand
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15HN
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004945;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D06
InChI=1S/C11H13N5O/c12-9(17)7-2-4-16(5-7)11-8-1-3-13-10(8)14-6-15-11/h1,3,6-7H,2,4-5H2,(H2,12,17)(H,13,14,15)/t7-/m1/s1
InChI=1S/C11H13N5O/c12-9(17)7-2-4-16(5-7)11-8-1-3-13-10(8)14-6-15-11/h1,3,6-7H,2,4-5H2,(H2,12,17)(H,13,14,15)/t7-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CC[C@H](C3)C(=O)N
c1c[nH]c2c1c(ncn2)N3CC[C@H](C3)C(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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