2026-06-20_00000203
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ligand
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9RHN
Structure of SARS-coV-2 NSP3 macrodomain in complex with ligand;
X-ray diffraction 1.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
EVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Canonical Sequence ...
EVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2
A1JF9
InChI=1S/C14H19N5O9P2/c1-2-29(22,23)28-30(24,25)26-5-9-11(20)12(21)14(6-15,27-9)10-4-3-8-13(16)17-7-18-19(8)10/h3-4,7,9,11-12,20-21H,2,5H2,1H3,(H,22,23)(H,24,25)(H2,16,17,18)/t9-,11-,12-,14+/m1/s1
InChI=1S/C14H19N5O9P2/c1-2-29(22,23)28-30(24,25)26-5-9-11(20)12(21)14(6-15,27-9)10-4-3-8-13(16)17-7-18-19(8)10/h3-4,7,9,11-12,20-21H,2,5H2,1H3,(H,22,23)(H,24,25)(H2,16,17,18)/t9-,11-,12-,14+/m1/s1
SMILES: CCP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)c2ccc3n2ncnc3N)O)O
CCP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)c2ccc3n2ncnc3N)O)O
Biounit #1
homo-dimer
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Model
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