2026-10-31_00000227
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ligand
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15II
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004999;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D10
InChI=1S/C14H17N5O/c20-14(18-9-3-4-9)11-2-1-7-19(11)13-10-5-6-15-12(10)16-8-17-13/h5-6,8-9,11H,1-4,7H2,(H,18,20)(H,15,16,17)/t11-/m0/s1
InChI=1S/C14H17N5O/c20-14(18-9-3-4-9)11-2-1-7-19(11)13-10-5-6-15-12(10)16-8-17-13/h5-6,8-9,11H,1-4,7H2,(H,18,20)(H,15,16,17)/t11-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CCC[C@H]3C(=O)NC4CC4
c1c[nH]c2c1c(ncn2)N3CCC[C@H]3C(=O)NC4CC4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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