2026-10-31_00000190
|
ligand
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15GX
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004898;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D3X
InChI=1S/C15H19N5O2/c1-15(2)7-9(13(21)20-15)3-5-17-14(22)11-10-4-6-16-12(10)19-8-18-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,17,22)(H,20,21)(H,16,18,19)/t9-/m1/s1
InChI=1S/C15H19N5O2/c1-15(2)7-9(13(21)20-15)3-5-17-14(22)11-10-4-6-16-12(10)19-8-18-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,17,22)(H,20,21)(H,16,18,19)/t9-/m1/s1
SMILES: CC1(C[C@H](C(=O)N1)CCNC(=O)c2c3cc[nH]c3ncn2)C
CC1(C[C@H](C(=O)N1)CCNC(=O)c2c3cc[nH]c3ncn2)C
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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