2026-10-31_00000036
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ligand
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15AY
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000721;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DXQ
InChI=1S/C11H12BrN5O/c1-6-2-3-8(18)17(6)16-11-9-7(12)4-13-10(9)14-5-15-11/h4-6H,2-3H2,1H3,(H2,13,14,15,16)/t6-/m0/s1
InChI=1S/C11H12BrN5O/c1-6-2-3-8(18)17(6)16-11-9-7(12)4-13-10(9)14-5-15-11/h4-6H,2-3H2,1H3,(H2,13,14,15,16)/t6-/m0/s1
SMILES: C[C@H]1CCC(=O)N1Nc2c3c(c[nH]c3ncn2)Br
C[C@H]1CCC(=O)N1Nc2c3c(c[nH]c3ncn2)Br
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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