2026-09-12_00000032
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ligand
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14AP
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z9187344338;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DBD
InChI=1S/C17H19N5O2/c1-10(2)15(12-7-13-14(8-19-12)24-6-5-23-13)22-17-11-3-4-18-16(11)20-9-21-17/h3-4,7-10,15H,5-6H2,1-2H3,(H2,18,20,21,22)/t15-/m0/s1
InChI=1S/C17H19N5O2/c1-10(2)15(12-7-13-14(8-19-12)24-6-5-23-13)22-17-11-3-4-18-16(11)20-9-21-17/h3-4,7-10,15H,5-6H2,1-2H3,(H2,18,20,21,22)/t15-/m0/s1
SMILES: CC(C)[C@@H](c1cc2c(cn1)OCCO2)Nc3c4cc[nH]c4ncn3
CC(C)[C@@H](c1cc2c(cn1)OCCO2)Nc3c4cc[nH]c4ncn3
Non polymer #3
A1DBE
InChI=1S/C17H19N5O2/c1-10(2)15(12-7-13-14(8-19-12)24-6-5-23-13)22-17-11-3-4-18-16(11)20-9-21-17/h3-4,7-10,15H,5-6H2,1-2H3,(H2,18,20,21,22)/t15-/m1/s1
InChI=1S/C17H19N5O2/c1-10(2)15(12-7-13-14(8-19-12)24-6-5-23-13)22-17-11-3-4-18-16(11)20-9-21-17/h3-4,7-10,15H,5-6H2,1-2H3,(H2,18,20,21,22)/t15-/m1/s1
SMILES: CC(C)[C@H](c1cc2c(cn1)OCCO2)Nc3c4cc[nH]c4ncn3
CC(C)[C@H](c1cc2c(cn1)OCCO2)Nc3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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