2026-10-31_00000399
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ligand
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15OY
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005689;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DXM
InChI=1S/C13H17N5/c14-10-3-7-18(13(10)4-1-5-13)12-9-2-6-15-11(9)16-8-17-12/h2,6,8,10H,1,3-5,7,14H2,(H,15,16,17)/t10-/m1/s1
InChI=1S/C13H17N5/c14-10-3-7-18(13(10)4-1-5-13)12-9-2-6-15-11(9)16-8-17-12/h2,6,8,10H,1,3-5,7,14H2,(H,15,16,17)/t10-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CC[C@H](C34CCC4)N
c1c[nH]c2c1c(ncn2)N3CC[C@H](C34CCC4)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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