2026-10-31_00000018
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ligand
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15AG
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000537;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PSC
InChI=1S/C15H13FN4O/c1-8-5-21-6-12(8)20-15-13-10-3-2-9(16)4-11(10)19-14(13)17-7-18-15/h2-4,7,12H,1,5-6H2,(H2,17,18,19,20)/t12-/m1/s1
InChI=1S/C15H13FN4O/c1-8-5-21-6-12(8)20-15-13-10-3-2-9(16)4-11(10)19-14(13)17-7-18-15/h2-4,7,12H,1,5-6H2,(H2,17,18,19,20)/t12-/m1/s1
SMILES: C=C1COC[C@H]1Nc2c3c4ccc(cc4[nH]c3ncn2)F
C=C1COC[C@H]1Nc2c3c4ccc(cc4[nH]c3ncn2)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%