2025-03-29_00000189
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ligand
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7I7H
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-0038414-001 (A71EV2A-x5222);
X-ray diffraction 1.30Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B5P
InChI=1S/C18H20N4O2/c1-11-14(15-4-2-12(9-19)8-16(15)21-11)6-7-22-10-13(18(20)24)3-5-17(22)23/h2,4,8,13,21H,3,5-7,10H2,1H3,(H2,20,24)/t13-/m0/s1
InChI=1S/C18H20N4O2/c1-11-14(15-4-2-12(9-19)8-16(15)21-11)6-7-22-10-13(18(20)24)3-5-17(22)23/h2,4,8,13,21H,3,5-7,10H2,1H3,(H2,20,24)/t13-/m0/s1
SMILES: Cc1c(c2ccc(cc2[nH]1)C#N)CCN3C[C@H](CCC3=O)C(=O)N
Cc1c(c2ccc(cc2[nH]1)C#N)CCN3C[C@H](CCC3=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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