2026-10-31_00000468
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ligand
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15RP
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005645;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PRG
InChI=1S/C15H20N4O2/c20-13-6-2-1-4-11(13)8-9-16-15(21)12-5-3-7-14-17-10-18-19(12)14/h3,5,7,10-11,13,20H,1-2,4,6,8-9H2,(H,16,21)/t11-,13-/m1/s1
InChI=1S/C15H20N4O2/c20-13-6-2-1-4-11(13)8-9-16-15(21)12-5-3-7-14-17-10-18-19(12)14/h3,5,7,10-11,13,20H,1-2,4,6,8-9H2,(H,16,21)/t11-,13-/m1/s1
SMILES: c1cc(n2c(c1)ncn2)C(=O)NCC[C@H]3CCCC[C@H]3O
c1cc(n2c(c1)ncn2)C(=O)NCC[C@H]3CCCC[C@H]3O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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