2026-09-12_00000022
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ligand
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14AF
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z7983841111;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1CKC
InChI=1S/C16H13ClN4O3/c17-10-3-1-2-9(6-10)12(7-13(22)23)21-16(24)14-11-4-5-18-15(11)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m0/s1
InChI=1S/C16H13ClN4O3/c17-10-3-1-2-9(6-10)12(7-13(22)23)21-16(24)14-11-4-5-18-15(11)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m0/s1
SMILES: c1cc(cc(c1)Cl)[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2
c1cc(cc(c1)Cl)[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2
Non polymer #3
A1DBU
InChI=1S/C16H13ClN4O3/c17-10-3-1-2-9(6-10)12(7-13(22)23)21-16(24)14-11-4-5-18-15(11)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m1/s1
InChI=1S/C16H13ClN4O3/c17-10-3-1-2-9(6-10)12(7-13(22)23)21-16(24)14-11-4-5-18-15(11)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m1/s1
SMILES: c1cc(cc(c1)Cl)[C@@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2
c1cc(cc(c1)Cl)[C@@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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