2025-03-29_00000082
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ligand
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7I4I
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-0036619-001 (A71EV2A-x4708);
X-ray diffraction 1.40Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B2W
InChI=1S/C12H20N2O3S/c13-10(15)9-2-1-5-14(8-9)11(16)12(17)3-6-18-7-4-12/h9,17H,1-8H2,(H2,13,15)/t9-/m0/s1
InChI=1S/C12H20N2O3S/c13-10(15)9-2-1-5-14(8-9)11(16)12(17)3-6-18-7-4-12/h9,17H,1-8H2,(H2,13,15)/t9-/m0/s1
SMILES: C1C[C@@H](CN(C1)C(=O)C2(CCSCC2)O)C(=O)N
C1C[C@@H](CN(C1)C(=O)C2(CCSCC2)O)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
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%