2026-10-31_00000032
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ligand
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15AU
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000676;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQK
InChI=1S/C13H14BrN5O3/c1-6-3-4-7(20)19(6)18-12-8-9(14)10(13(21)22-2)17-11(8)15-5-16-12/h5-6H,3-4H2,1-2H3,(H2,15,16,17,18)/t6-/m0/s1
InChI=1S/C13H14BrN5O3/c1-6-3-4-7(20)19(6)18-12-8-9(14)10(13(21)22-2)17-11(8)15-5-16-12/h5-6H,3-4H2,1-2H3,(H2,15,16,17,18)/t6-/m0/s1
SMILES: C[C@H]1CCC(=O)N1Nc2c3c(c([nH]c3ncn2)C(=O)OC)Br
C[C@H]1CCC(=O)N1Nc2c3c(c([nH]c3ncn2)C(=O)OC)Br
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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