2025-03-29_00000143
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ligand
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7I67
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-0037647-001 (A71EV2A-x4926);
X-ray diffraction 1.35Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B4G
InChI=1S/C15H17FN4O2/c1-8-18-12-4-3-11(16)10(14(12)19-8)7-20-6-9(15(17)22)2-5-13(20)21/h3-4,9H,2,5-7H2,1H3,(H2,17,22)(H,18,19)/t9-/m0/s1
InChI=1S/C15H17FN4O2/c1-8-18-12-4-3-11(16)10(14(12)19-8)7-20-6-9(15(17)22)2-5-13(20)21/h3-4,9H,2,5-7H2,1H3,(H2,17,22)(H,18,19)/t9-/m0/s1
SMILES: Cc1[nH]c2ccc(c(c2n1)CN3C[C@H](CCC3=O)C(=O)N)F
Cc1[nH]c2ccc(c(c2n1)CN3C[C@H](CCC3=O)C(=O)N)F
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
Biounit #2
monomer
Download coordinates
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Model
Reference
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