2024-05-11_00000004
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ligand
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7GZ2
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000072-001;
X-ray diffraction 1.14Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1AJH
InChI=1S/C14H16N4O3/c19-13(11-9-5-6-15-12(9)17-8-16-11)18-7-3-1-2-4-10(18)14(20)21/h5-6,8,10H,1-4,7H2,(H,20,21)(H,15,16,17)
InChI=1S/C14H16N4O3/c19-13(11-9-5-6-15-12(9)17-8-16-11)18-7-3-1-2-4-10(18)14(20)21/h5-6,8,10H,1-4,7H2,(H,20,21)(H,15,16,17)
SMILES: c1c[nH]c2c1c(ncn2)C(=O)N3CCCCC[C@H]3C(=O)O
c1c[nH]c2c1c(ncn2)C(=O)N3CCCCC[C@H]3C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%