2025-09-13_00000021
|
ligand
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7IJH
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8990523176;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1CKE
InChI=1S/C17H16N4O3/c1-10-8-18-16-14(10)15(19-9-20-16)17(24)21-12(7-13(22)23)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m0/s1
InChI=1S/C17H16N4O3/c1-10-8-18-16-14(10)15(19-9-20-16)17(24)21-12(7-13(22)23)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m0/s1
SMILES: Cc1c[nH]c2c1c(ncn2)C(=O)N[C@@H](CC(=O)O)c3ccccc3
Cc1c[nH]c2c1c(ncn2)C(=O)N[C@@H](CC(=O)O)c3ccccc3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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