2024-05-11_00000042
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ligand
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7H05
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008287-001;
X-ray diffraction 1.15Å
Protein #1
170 residues (98% resolved)
Raw Sequence ...
GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Canonical Sequence ...
GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2
A1AL0
InChI=1S/C14H18N6/c1-9(2)12(10-6-18-20(3)7-10)19-14-11-4-5-15-13(11)16-8-17-14/h4-9,12H,1-3H3,(H2,15,16,17,19)/t12-/m0/s1
InChI=1S/C14H18N6/c1-9(2)12(10-6-18-20(3)7-10)19-14-11-4-5-15-13(11)16-8-17-14/h4-9,12H,1-3H3,(H2,15,16,17,19)/t12-/m0/s1
SMILES: CC(C)[C@@H](c1cnn(c1)C)Nc2c3cc[nH]c3ncn2
CC(C)[C@@H](c1cnn(c1)C)Nc2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
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Model
Reference
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