2025-03-29_00000158
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ligand
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7I6M
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-0037755-001 (A71EV2A-x4986);
X-ray diffraction 1.44Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B42
InChI=1S/C18H24N4O3S/c1-26-15-7-6-13(22-9-3-5-16(22)23)10-14(15)20-18(25)21-8-2-4-12(11-21)17(19)24/h6-7,10,12H,2-5,8-9,11H2,1H3,(H2,19,24)(H,20,25)/t12-/m0/s1
InChI=1S/C18H24N4O3S/c1-26-15-7-6-13(22-9-3-5-16(22)23)10-14(15)20-18(25)21-8-2-4-12(11-21)17(19)24/h6-7,10,12H,2-5,8-9,11H2,1H3,(H2,19,24)(H,20,25)/t12-/m0/s1
SMILES: CSc1ccc(cc1NC(=O)N2CCC[C@@H](C2)C(=O)N)N3CCCC3=O
CSc1ccc(cc1NC(=O)N2CCC[C@@H](C2)C(=O)N)N3CCCC3=O
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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