2025-03-29_00000176
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ligand
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7I74
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-0038204-001 (A71EV2A-x5106);
X-ray diffraction 1.59Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B5E
InChI=1S/C16H18N4O2/c1-19-8-7-18-16(19)14(11-5-3-2-4-6-11)20-10-12(15(17)22)9-13(20)21/h2-8,12,14H,9-10H2,1H3,(H2,17,22)/t12-,14-/m0/s1
InChI=1S/C16H18N4O2/c1-19-8-7-18-16(19)14(11-5-3-2-4-6-11)20-10-12(15(17)22)9-13(20)21/h2-8,12,14H,9-10H2,1H3,(H2,17,22)/t12-,14-/m0/s1
SMILES: Cn1ccnc1[C@@H](c2ccccc2)N3C[C@H](CC3=O)C(=O)N
Cn1ccnc1[C@@H](c2ccccc2)N3C[C@H](CC3=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
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Model
Reference
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