2025-03-29_00000069
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ligand
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7I45
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-0036599-001 (A71EV2A-x4669);
X-ray diffraction 1.39Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B2J
InChI=1S/C16H19ClN2O4/c17-12-8-14-13(22-4-5-23-14)6-11(12)7-15(20)19-3-1-2-10(9-19)16(18)21/h6,8,10H,1-5,7,9H2,(H2,18,21)/t10-/m0/s1
InChI=1S/C16H19ClN2O4/c17-12-8-14-13(22-4-5-23-14)6-11(12)7-15(20)19-3-1-2-10(9-19)16(18)21/h6,8,10H,1-5,7,9H2,(H2,18,21)/t10-/m0/s1
SMILES: c1c(c(cc2c1OCCO2)Cl)CC(=O)N3CCC[C@@H](C3)C(=O)N
c1c(c(cc2c1OCCO2)Cl)CC(=O)N3CCC[C@@H](C3)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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