2026-10-31_00000231
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ligand
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15IM
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005664;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DUV
InChI=1S/C14H10F2N4O/c15-10-2-1-8(5-11(10)16)6-18-14(21)12-9-3-4-17-13(9)20-7-19-12/h1-5,7H,6H2,(H,18,21)(H,17,19,20)
InChI=1S/C14H10F2N4O/c15-10-2-1-8(5-11(10)16)6-18-14(21)12-9-3-4-17-13(9)20-7-19-12/h1-5,7H,6H2,(H,18,21)(H,17,19,20)
SMILES: c1cc(c(cc1CNC(=O)c2c3cc[nH]c3ncn2)F)F
c1cc(c(cc1CNC(=O)c2c3cc[nH]c3ncn2)F)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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