2025-02-22_00000095
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ligand
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7HVU
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-0032503-001 (A71EV2A-x3606);
X-ray diffraction 1.43Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BPY
InChI=1S/C18H20Cl2N4O2/c1-23-16(8-17(25)24-4-2-3-11(10-24)18(21)26)15(9-22-23)12-5-13(19)7-14(20)6-12/h5-7,9,11H,2-4,8,10H2,1H3,(H2,21,26)/t11-/m0/s1
InChI=1S/C18H20Cl2N4O2/c1-23-16(8-17(25)24-4-2-3-11(10-24)18(21)26)15(9-22-23)12-5-13(19)7-14(20)6-12/h5-7,9,11H,2-4,8,10H2,1H3,(H2,21,26)/t11-/m0/s1
SMILES: Cn1c(c(cn1)c2cc(cc(c2)Cl)Cl)CC(=O)N3CCC[C@@H](C3)C(=O)N
Cn1c(c(cn1)c2cc(cc(c2)Cl)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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