2026-10-31_00000326
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ligand
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15MD
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005321;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DXA
InChI=1S/C11H12F2N4/c12-9(13)7-2-4-17(5-7)11-8-1-3-14-10(8)15-6-16-11/h1,3,6-7,9H,2,4-5H2,(H,14,15,16)/t7-/m1/s1
InChI=1S/C11H12F2N4/c12-9(13)7-2-4-17(5-7)11-8-1-3-14-10(8)15-6-16-11/h1,3,6-7,9H,2,4-5H2,(H,14,15,16)/t7-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CC[C@H](C3)C(F)F
c1c[nH]c2c1c(ncn2)N3CC[C@H](C3)C(F)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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