2025-03-29_00000185
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ligand
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7I7D
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-0038480-001 (A71EV2A-x5212);
X-ray diffraction 1.53Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B5T
InChI=1S/C13H15N5O2/c14-5-11-10(6-16-8-17-11)4-12(19)18-3-1-2-9(7-18)13(15)20/h6,8-9H,1-4,7H2,(H2,15,20)/t9-/m0/s1
InChI=1S/C13H15N5O2/c14-5-11-10(6-16-8-17-11)4-12(19)18-3-1-2-9(7-18)13(15)20/h6,8-9H,1-4,7H2,(H2,15,20)/t9-/m0/s1
SMILES: c1c(c(ncn1)C#N)CC(=O)N2CCC[C@@H](C2)C(=O)N
c1c(c(ncn1)C#N)CC(=O)N2CCC[C@@H](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
Download coordinates
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Model
Reference
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