2025-03-29_00000202
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ligand
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7I7U
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-0038553-001 (A71EV2A-x5317);
X-ray diffraction 1.31Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B53
InChI=1S/C15H19N3O3/c1-9-4-3-5-10(6-9)13(15(21)17-2)18-8-11(14(16)20)7-12(18)19/h3-6,11,13H,7-8H2,1-2H3,(H2,16,20)(H,17,21)/t11-,13-/m0/s1
InChI=1S/C15H19N3O3/c1-9-4-3-5-10(6-9)13(15(21)17-2)18-8-11(14(16)20)7-12(18)19/h3-6,11,13H,7-8H2,1-2H3,(H2,16,20)(H,17,21)/t11-,13-/m0/s1
SMILES: Cc1cccc(c1)[C@H](C(=O)NC)N2C[C@H](CC2=O)C(=O)N
Cc1cccc(c1)[C@H](C(=O)NC)N2C[C@H](CC2=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
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