2025-09-13_00000009
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ligand
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7IJ5
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z7692056627;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1CJ1
InChI=1S/C15H13N5O3/c21-12(22)7-11(10-3-1-2-5-16-10)20-15(23)13-9-4-6-17-14(9)19-8-18-13/h1-6,8,11H,7H2,(H,20,23)(H,21,22)(H,17,18,19)/t11-/m0/s1
InChI=1S/C15H13N5O3/c21-12(22)7-11(10-3-1-2-5-16-10)20-15(23)13-9-4-6-17-14(9)19-8-18-13/h1-6,8,11H,7H2,(H,20,23)(H,21,22)(H,17,18,19)/t11-/m0/s1
SMILES: c1ccnc(c1)[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2
c1ccnc(c1)[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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