2026-10-31_00000073
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ligand
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15CJ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0001491;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQP
InChI=1S/C14H15N5O/c1-10-4-2-6-16-13(10)11-8-15-9-17-14(11)18-19-7-3-5-12(19)20/h2,4,6,8-9H,3,5,7H2,1H3,(H,15,17,18)
InChI=1S/C14H15N5O/c1-10-4-2-6-16-13(10)11-8-15-9-17-14(11)18-19-7-3-5-12(19)20/h2,4,6,8-9H,3,5,7H2,1H3,(H,15,17,18)
SMILES: Cc1cccnc1c2cncnc2NN3CCCC3=O
Cc1cccnc1c2cncnc2NN3CCCC3=O
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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