2026-10-31_00000319
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ligand
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15LW
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005301;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PPY
InChI=1S/C15H24N4O/c1-15(2,20)12-4-3-7-19(12)14-8-13(17-10-18-14)16-9-11-5-6-11/h8,10-12,20H,3-7,9H2,1-2H3,(H,16,17,18)/t12-/m0/s1
InChI=1S/C15H24N4O/c1-15(2,20)12-4-3-7-19(12)14-8-13(17-10-18-14)16-9-11-5-6-11/h8,10-12,20H,3-7,9H2,1-2H3,(H,16,17,18)/t12-/m0/s1
SMILES: CC(C)([C@@H]1CCCN1c2cc(ncn2)NCC3CC3)O
CC(C)([C@@H]1CCCN1c2cc(ncn2)NCC3CC3)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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