2025-06-07_00000019
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ligand
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7HCU
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000616;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1A6O
InChI=1S/C10H11FN4O/c11-7-3-15(4-8(7)16)10-6-1-2-12-9(6)13-5-14-10/h1-2,5,7-8,16H,3-4H2,(H,12,13,14)/t7-,8-/m1/s1
InChI=1S/C10H11FN4O/c11-7-3-15(4-8(7)16)10-6-1-2-12-9(6)13-5-14-10/h1-2,5,7-8,16H,3-4H2,(H,12,13,14)/t7-,8-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3C[C@H]([C@@H](C3)F)O
c1c[nH]c2c1c(ncn2)N3C[C@H]([C@@H](C3)F)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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