2026-10-31_00000174
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ligand
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15GG
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004865;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D0E
InChI=1S/C12H16N4O/c1-17-7-9-3-2-6-16(9)12-10-4-5-13-11(10)14-8-15-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14,15)/t9-/m0/s1
InChI=1S/C12H16N4O/c1-17-7-9-3-2-6-16(9)12-10-4-5-13-11(10)14-8-15-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14,15)/t9-/m0/s1
SMILES: COC[C@@H]1CCCN1c2c3cc[nH]c3ncn2
COC[C@@H]1CCCN1c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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