2025-08-16_00000109
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ligand
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7HQP
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_9;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BJP
InChI=1S/C16H15FN4/c17-14-4-2-1-3-12(14)11-6-8-21(9-11)16-13-5-7-18-15(13)19-10-20-16/h1-5,7,10-11H,6,8-9H2,(H,18,19,20)/t11-/m0/s1
InChI=1S/C16H15FN4/c17-14-4-2-1-3-12(14)11-6-8-21(9-11)16-13-5-7-18-15(13)19-10-20-16/h1-5,7,10-11H,6,8-9H2,(H,18,19,20)/t11-/m0/s1
SMILES: c1ccc(c(c1)[C@H]2CCN(C2)c3c4cc[nH]c4ncn3)F
c1ccc(c(c1)[C@H]2CCN(C2)c3c4cc[nH]c4ncn3)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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