2025-02-22_00000221
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ligand
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7HZE
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-0036380-001 (A71EV2A-x4540);
X-ray diffraction 1.98Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BR8
InChI=1S/C13H15BrClN3O3/c14-9-4-10(15)13(21)18(6-9)7-11(19)17-3-1-2-8(5-17)12(16)20/h4,6,8H,1-3,5,7H2,(H2,16,20)/t8-/m0/s1
InChI=1S/C13H15BrClN3O3/c14-9-4-10(15)13(21)18(6-9)7-11(19)17-3-1-2-8(5-17)12(16)20/h4,6,8H,1-3,5,7H2,(H2,16,20)/t8-/m0/s1
SMILES: C1C[C@@H](CN(C1)C(=O)CN2C=C(C=C(C2=O)Cl)Br)C(=O)N
C1C[C@@H](CN(C1)C(=O)CN2C=C(C=C(C2=O)Cl)Br)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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