2026-10-31_00000309
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ligand
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15LM
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005274;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D22
InChI=1S/C10H14N4O/c1-2-7(15)5-12-10-8-3-4-11-9(8)13-6-14-10/h3-4,6-7,15H,2,5H2,1H3,(H2,11,12,13,14)/t7-/m1/s1
InChI=1S/C10H14N4O/c1-2-7(15)5-12-10-8-3-4-11-9(8)13-6-14-10/h3-4,6-7,15H,2,5H2,1H3,(H2,11,12,13,14)/t7-/m1/s1
SMILES: CC[C@H](CNc1c2cc[nH]c2ncn1)O
CC[C@H](CNc1c2cc[nH]c2ncn1)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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