2026-10-31_00000143
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ligand
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15FB
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004682;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DX0
InChI=1S/C17H21N5O/c1-10(2)15(8-23)22-17-13-7-14(21-16(13)19-9-20-17)11-4-3-5-12(18)6-11/h3-7,9-10,15,23H,8,18H2,1-2H3,(H2,19,20,21,22)/t15-/m0/s1
InChI=1S/C17H21N5O/c1-10(2)15(8-23)22-17-13-7-14(21-16(13)19-9-20-17)11-4-3-5-12(18)6-11/h3-7,9-10,15,23H,8,18H2,1-2H3,(H2,19,20,21,22)/t15-/m0/s1
SMILES: CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3cccc(c3)N
CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3cccc(c3)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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