2025-03-29_00000128
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ligand
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7I5S
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-0036404-001 (A71EV2A-x4874);
X-ray diffraction 1.42Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B38
InChI=1S/C12H18N4O2/c1-8(10-4-5-14-15-10)12(18)16-6-2-3-9(7-16)11(13)17/h4-5,8-9H,2-3,6-7H2,1H3,(H2,13,17)(H,14,15)/t8-,9-/m0/s1
InChI=1S/C12H18N4O2/c1-8(10-4-5-14-15-10)12(18)16-6-2-3-9(7-16)11(13)17/h4-5,8-9H,2-3,6-7H2,1H3,(H2,13,17)(H,14,15)/t8-,9-/m0/s1
SMILES: C[C@@H](c1ccn[nH]1)C(=O)N2CCC[C@@H](C2)C(=O)N
C[C@@H](c1ccn[nH]1)C(=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
Biounit #2
monomer
Download coordinates
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Model
Reference
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