2026-01-24_00000013
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ligand
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13RU
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006318;
X-ray diffraction 1.11Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1CX3
InChI=1S/C16H16N8O2/c1-16(2)7-26-15(25)24(16)22-14-9-4-11(21-13(9)18-8-19-14)10-6-20-23(3)12(10)5-17/h4,6,8H,7H2,1-3H3,(H2,18,19,21,22)
InChI=1S/C16H16N8O2/c1-16(2)7-26-15(25)24(16)22-14-9-4-11(21-13(9)18-8-19-14)10-6-20-23(3)12(10)5-17/h4,6,8H,7H2,1-3H3,(H2,18,19,21,22)
SMILES: CC1(COC(=O)N1Nc2c3cc([nH]c3ncn2)c4cnn(c4C#N)C)C
CC1(COC(=O)N1Nc2c3cc([nH]c3ncn2)c4cnn(c4C#N)C)C
Biounit #1
monomer
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Biounit #2
monomer
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Model
Reference
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