2025-09-13_00000004
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ligand
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7IJ0
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8598075284;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1CJT
InChI=1S/C17H15BrN4O3/c1-9-6-10(18)2-3-11(9)13(7-14(23)24)22-17(25)15-12-4-5-19-16(12)21-8-20-15/h2-6,8,13H,7H2,1H3,(H,22,25)(H,23,24)(H,19,20,21)/t13-/m1/s1
InChI=1S/C17H15BrN4O3/c1-9-6-10(18)2-3-11(9)13(7-14(23)24)22-17(25)15-12-4-5-19-16(12)21-8-20-15/h2-6,8,13H,7H2,1H3,(H,22,25)(H,23,24)(H,19,20,21)/t13-/m1/s1
SMILES: Cc1cc(ccc1[C@@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)Br
Cc1cc(ccc1[C@@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)Br
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%