2026-07-18_00000194
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ligand
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9RXJ
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with SRI1.45 at room temperature;
X-ray diffraction 1.88Å
Protein #1
170 residues (98% resolved)
Raw Sequence ...
GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Canonical Sequence ...
GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2
A1JF4
InChI=1S/C9H10N4O2/c14-7(15)2-4-11-9-6-1-3-10-8(6)12-5-13-9/h1,3,5H,2,4H2,(H,14,15)(H2,10,11,12,13)
InChI=1S/C9H10N4O2/c14-7(15)2-4-11-9-6-1-3-10-8(6)12-5-13-9/h1,3,5H,2,4H2,(H,14,15)(H2,10,11,12,13)
SMILES: c1c[nH]c2c1c(ncn2)NCCC(=O)O
c1c[nH]c2c1c(ncn2)NCCC(=O)O
Biounit #1
monomer
Download coordinates
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Model
Reference
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