2026-10-31_00000015
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ligand
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15AD
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000412;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DV5
InChI=1S/C14H15N5O/c20-14-7-4-8-19(14)18-13-9-12(15-10-16-13)17-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H2,15,16,17,18)
InChI=1S/C14H15N5O/c20-14-7-4-8-19(14)18-13-9-12(15-10-16-13)17-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H2,15,16,17,18)
SMILES: c1ccc(cc1)Nc2cc(ncn2)NN3CCCC3=O
c1ccc(cc1)Nc2cc(ncn2)NN3CCCC3=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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