2025-08-16_00000074
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ligand
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7HPQ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1696_25;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BKD
InChI=1S/C13H5F3N4S/c14-7-1-8(15)11(9(16)2-7)21-13-10-6(3-17)4-18-12(10)19-5-20-13/h1-2,4-5H,(H,18,19,20)
InChI=1S/C13H5F3N4S/c14-7-1-8(15)11(9(16)2-7)21-13-10-6(3-17)4-18-12(10)19-5-20-13/h1-2,4-5H,(H,18,19,20)
SMILES: c1c(cc(c(c1F)Sc2c3c(c[nH]c3ncn2)C#N)F)F
c1c(cc(c(c1F)Sc2c3c(c[nH]c3ncn2)C#N)F)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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