2025-08-16_00000000
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ligand
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7HC4
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-3367;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1A03
InChI=1S/C17H18N6O3/c1-2-26-17(25)20-11-6-3-5-10-13-15(21-14(10)11)18-9-19-16(13)22-23-8-4-7-12(23)24/h3,5-6,9H,2,4,7-8H2,1H3,(H,20,25)(H2,18,19,21,22)
InChI=1S/C17H18N6O3/c1-2-26-17(25)20-11-6-3-5-10-13-15(21-14(10)11)18-9-19-16(13)22-23-8-4-7-12(23)24/h3,5-6,9H,2,4,7-8H2,1H3,(H,20,25)(H2,18,19,21,22)
SMILES: CCOC(=O)Nc1cccc2c1[nH]c3c2c(ncn3)NN4CCCC4=O
CCOC(=O)Nc1cccc2c1[nH]c3c2c(ncn3)NN4CCCC4=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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