2025-06-07_00000111
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ligand
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7HFE
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004128;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BA5
InChI=1S/C15H20N4O/c1-15(2,20)12-10-4-3-9(10)7-19(12)14-11-5-6-16-13(11)17-8-18-14/h5-6,8-10,12,20H,3-4,7H2,1-2H3,(H,16,17,18)/t9-,10-,12+/m0/s1
InChI=1S/C15H20N4O/c1-15(2,20)12-10-4-3-9(10)7-19(12)14-11-5-6-16-13(11)17-8-18-14/h5-6,8-10,12,20H,3-4,7H2,1-2H3,(H,16,17,18)/t9-,10-,12+/m0/s1
SMILES: CC(C)([C@H]1[C@H]2CC[C@H]2CN1c3c4cc[nH]c4ncn3)O
CC(C)([C@H]1[C@H]2CC[C@H]2CN1c3c4cc[nH]c4ncn3)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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