2026-10-31_00000396
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ligand
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15OV
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005681;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D4E
InChI=1S/C12H13N5O/c1-8-2-4-17(5-3-8)12(18)10-9-11(15-6-13-9)16-7-14-10/h2,6-7H,3-5H2,1H3,(H,13,14,15,16)
InChI=1S/C12H13N5O/c1-8-2-4-17(5-3-8)12(18)10-9-11(15-6-13-9)16-7-14-10/h2,6-7H,3-5H2,1H3,(H,13,14,15,16)
SMILES: CC1=CCN(CC1)C(=O)c2c3c([nH]cn3)ncn2
CC1=CCN(CC1)C(=O)c2c3c([nH]cn3)ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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