2026-10-31_00000277
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ligand
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15KG
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005179;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D3F
InChI=1S/C12H15N5O/c1-7-2-3-9(12(18)16-7)17-11-8-4-5-13-10(8)14-6-15-11/h4-7,9H,2-3H2,1H3,(H,16,18)(H2,13,14,15,17)/t7-,9-/m1/s1
InChI=1S/C12H15N5O/c1-7-2-3-9(12(18)16-7)17-11-8-4-5-13-10(8)14-6-15-11/h4-7,9H,2-3H2,1H3,(H,16,18)(H2,13,14,15,17)/t7-,9-/m1/s1
SMILES: C[C@@H]1CC[C@H](C(=O)N1)Nc2c3cc[nH]c3ncn2
C[C@@H]1CC[C@H](C(=O)N1)Nc2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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