2026-10-31_00000043
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ligand
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15BF
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000728;
X-ray diffraction 1.03Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DTU
InChI=1S/C20H17N5O/c26-17-11-10-16(13-6-2-1-3-7-13)25(17)24-20-18-14-8-4-5-9-15(14)23-19(18)21-12-22-20/h1-9,12,16H,10-11H2,(H2,21,22,23,24)/t16-/m0/s1
InChI=1S/C20H17N5O/c26-17-11-10-16(13-6-2-1-3-7-13)25(17)24-20-18-14-8-4-5-9-15(14)23-19(18)21-12-22-20/h1-9,12,16H,10-11H2,(H2,21,22,23,24)/t16-/m0/s1
SMILES: c1ccc(cc1)[C@@H]2CCC(=O)N2Nc3c4c5ccccc5[nH]c4ncn3
c1ccc(cc1)[C@@H]2CCC(=O)N2Nc3c4c5ccccc5[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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