2026-10-31_00000133
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ligand
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15ER
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005995;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DYR
InChI=1S/C11H13N5O/c17-11-8(2-1-4-13-11)16-10-7-3-5-12-9(7)14-6-15-10/h3,5-6,8H,1-2,4H2,(H,13,17)(H2,12,14,15,16)/t8-/m1/s1
InChI=1S/C11H13N5O/c17-11-8(2-1-4-13-11)16-10-7-3-5-12-9(7)14-6-15-10/h3,5-6,8H,1-2,4H2,(H,13,17)(H2,12,14,15,16)/t8-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N[C@@H]3CCCNC3=O
c1c[nH]c2c1c(ncn2)N[C@@H]3CCCNC3=O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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