2025-02-22_00000079
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ligand
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7HVD
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-0032330-001 (A71EV2A-x3488);
X-ray diffraction 1.52Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BQD
InChI=1S/C17H17ClN2O4/c1-10-6-13(18)16(20-15(21)9-23-2)14(7-10)24-12-5-3-4-11(8-12)17(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,20,21)
InChI=1S/C17H17ClN2O4/c1-10-6-13(18)16(20-15(21)9-23-2)14(7-10)24-12-5-3-4-11(8-12)17(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,20,21)
SMILES: Cc1cc(c(c(c1)Cl)NC(=O)COC)Oc2cccc(c2)C(=O)N
Cc1cc(c(c(c1)Cl)NC(=O)COC)Oc2cccc(c2)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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