2025-03-29_00000152
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ligand
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7I6G
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-0037730-001 (A71EV2A-x4963);
X-ray diffraction 1.56Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B4V
InChI=1S/C17H22N2O4/c1-22-11-17-8-16(9-17,15(18)21)10-19(17)14(20)7-12-5-3-4-6-13(12)23-2/h3-6H,7-11H2,1-2H3,(H2,18,21)/t16-,17-
InChI=1S/C17H22N2O4/c1-22-11-17-8-16(9-17,15(18)21)10-19(17)14(20)7-12-5-3-4-6-13(12)23-2/h3-6H,7-11H2,1-2H3,(H2,18,21)/t16-,17-
SMILES: COCC12CC(C1)(CN2C(=O)Cc3ccccc3OC)C(=O)N
COCC12CC(C1)(CN2C(=O)Cc3ccccc3OC)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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