2025-03-29_00000078
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ligand
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7I4E
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-0036669-001 (A71EV2A-x4701);
X-ray diffraction 1.18Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B2S
InChI=1S/C13H22N2O2S/c1-18-9-13(4-5-13)7-11(16)15-6-2-3-10(8-15)12(14)17/h10H,2-9H2,1H3,(H2,14,17)/t10-/m0/s1
InChI=1S/C13H22N2O2S/c1-18-9-13(4-5-13)7-11(16)15-6-2-3-10(8-15)12(14)17/h10H,2-9H2,1H3,(H2,14,17)/t10-/m0/s1
SMILES: CSCC1(CC1)CC(=O)N2CCC[C@@H](C2)C(=O)N
CSCC1(CC1)CC(=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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