2026-10-31_00000270
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ligand
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15JZ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005154;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DSI
InChI=1S/C14H14N4O/c1-3-11(12-4-2-8-19-12)18(7-1)14-10-5-6-15-13(10)16-9-17-14/h2,4-6,8-9,11H,1,3,7H2,(H,15,16,17)/t11-/m1/s1
InChI=1S/C14H14N4O/c1-3-11(12-4-2-8-19-12)18(7-1)14-10-5-6-15-13(10)16-9-17-14/h2,4-6,8-9,11H,1,3,7H2,(H,15,16,17)/t11-/m1/s1
SMILES: c1cc(oc1)[C@H]2CCCN2c3c4cc[nH]c4ncn3
c1cc(oc1)[C@H]2CCCN2c3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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