2025-09-13_00000012
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ligand
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7IJ8
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8928826043;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1CJ4
InChI=1S/C17H16N4O3/c1-17(9-13(22)23,11-5-3-2-4-6-11)21-16(24)14-12-7-8-18-15(12)20-10-19-14/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)(H,18,19,20)/t17-/m1/s1
InChI=1S/C17H16N4O3/c1-17(9-13(22)23,11-5-3-2-4-6-11)21-16(24)14-12-7-8-18-15(12)20-10-19-14/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)(H,18,19,20)/t17-/m1/s1
SMILES: C[C@@](CC(=O)O)(c1ccccc1)NC(=O)c2c3cc[nH]c3ncn2
C[C@@](CC(=O)O)(c1ccccc1)NC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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