2025-02-22_00000112
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ligand
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7HWD
Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0032784-001 (A71EV2A-x3914);
X-ray diffraction 1.70Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BN9
InChI=1S/C16H20N4O2/c1-19-10-13-11(4-2-6-14(13)18-19)8-15(21)20-7-3-5-12(9-20)16(17)22/h2,4,6,10,12H,3,5,7-9H2,1H3,(H2,17,22)/t12-/m0/s1
InChI=1S/C16H20N4O2/c1-19-10-13-11(4-2-6-14(13)18-19)8-15(21)20-7-3-5-12(9-20)16(17)22/h2,4,6,10,12H,3,5,7-9H2,1H3,(H2,17,22)/t12-/m0/s1
SMILES: Cn1cc2c(cccc2n1)CC(=O)N3CCC[C@@H](C3)C(=O)N
Cn1cc2c(cccc2n1)CC(=O)N3CCC[C@@H](C3)C(=O)N
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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