2026-10-31_00000089
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ligand
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15CZ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003767;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DXY
InChI=1S/C11H16N6O2/c1-2-12-11(19)15-8-6-9(14-7-13-8)16-17-5-3-4-10(17)18/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16,19)
InChI=1S/C11H16N6O2/c1-2-12-11(19)15-8-6-9(14-7-13-8)16-17-5-3-4-10(17)18/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16,19)
SMILES: CCNC(=O)Nc1cc(ncn1)NN2CCCC2=O
CCNC(=O)Nc1cc(ncn1)NN2CCCC2=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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