2025-06-07_00000038
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ligand
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7HDD
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003719;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1A75
InChI=1S/C16H24N4O/c1-16(2,3)11-4-5-12(9-21)20(8-11)15-13-6-7-17-14(13)18-10-19-15/h6-7,10-12,21H,4-5,8-9H2,1-3H3,(H,17,18,19)/t11-,12-/m1/s1
InChI=1S/C16H24N4O/c1-16(2,3)11-4-5-12(9-21)20(8-11)15-13-6-7-17-14(13)18-10-19-15/h6-7,10-12,21H,4-5,8-9H2,1-3H3,(H,17,18,19)/t11-,12-/m1/s1
SMILES: CC(C)(C)[C@@H]1CC[C@@H](N(C1)c2c3cc[nH]c3ncn2)CO
CC(C)(C)[C@@H]1CC[C@@H](N(C1)c2c3cc[nH]c3ncn2)CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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