2025-03-29_00000123
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ligand
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7I5N
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-0036464-001 (A71EV2A-x4847);
X-ray diffraction 1.34Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B34
InChI=1S/C15H17N3O2/c16-15(20)11-4-5-14(19)18(9-11)8-10-2-1-3-13-12(10)6-7-17-13/h1-3,6-7,11,17H,4-5,8-9H2,(H2,16,20)/t11-/m0/s1
InChI=1S/C15H17N3O2/c16-15(20)11-4-5-14(19)18(9-11)8-10-2-1-3-13-12(10)6-7-17-13/h1-3,6-7,11,17H,4-5,8-9H2,(H2,16,20)/t11-/m0/s1
SMILES: c1cc(c2cc[nH]c2c1)CN3C[C@H](CCC3=O)C(=O)N
c1cc(c2cc[nH]c2c1)CN3C[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
Download coordinates
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Model
Reference
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