2026-10-31_00000170
|
ligand
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15GC
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004838;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D0C
InChI=1S/C10H12N4O2/c1-7(15)5-11-10(16)8-3-2-4-9-12-6-13-14(8)9/h2-4,6-7,15H,5H2,1H3,(H,11,16)/t7-/m1/s1
InChI=1S/C10H12N4O2/c1-7(15)5-11-10(16)8-3-2-4-9-12-6-13-14(8)9/h2-4,6-7,15H,5H2,1H3,(H,11,16)/t7-/m1/s1
SMILES: C[C@H](CNC(=O)c1cccc2n1ncn2)O
C[C@H](CNC(=O)c1cccc2n1ncn2)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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