2025-08-16_00000071
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ligand
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7HPN
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1708_87;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BJ6
InChI=1S/C15H22N4O/c1-11(2)15(9-20)5-3-7-19(8-15)14-12-4-6-16-13(12)17-10-18-14/h4,6,10-11,20H,3,5,7-9H2,1-2H3,(H,16,17,18)/t15-/m1/s1
InChI=1S/C15H22N4O/c1-11(2)15(9-20)5-3-7-19(8-15)14-12-4-6-16-13(12)17-10-18-14/h4,6,10-11,20H,3,5,7-9H2,1-2H3,(H,16,17,18)/t15-/m1/s1
SMILES: CC(C)[C@@]1(CCCN(C1)c2c3cc[nH]c3ncn2)CO
CC(C)[C@@]1(CCCN(C1)c2c3cc[nH]c3ncn2)CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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