2026-10-31_00000412
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ligand
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15PL
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005544;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PSF
InChI=1S/C16H21N3O4/c1-16(14(21)22)8-3-9-19(10-16)13(20)11-4-6-12(7-5-11)18-15(23)17-2/h4-7H,3,8-10H2,1-2H3,(H,21,22)(H2,17,18,23)/t16-/m0/s1
InChI=1S/C16H21N3O4/c1-16(14(21)22)8-3-9-19(10-16)13(20)11-4-6-12(7-5-11)18-15(23)17-2/h4-7H,3,8-10H2,1-2H3,(H,21,22)(H2,17,18,23)/t16-/m0/s1
SMILES: C[C@@]1(CCCN(C1)C(=O)c2ccc(cc2)NC(=O)NC)C(=O)O
C[C@@]1(CCCN(C1)C(=O)c2ccc(cc2)NC(=O)NC)C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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