2025-02-22_00000197
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ligand
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7HYQ
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-0036235-001 (A71EV2A-x4409);
X-ray diffraction 1.30Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BRF
InChI=1S/C16H20N2O3/c17-16(20)12-5-6-15(19)18(10-12)9-11-7-8-21-14-4-2-1-3-13(11)14/h1-4,11-12H,5-10H2,(H2,17,20)/t11-,12+/m1/s1
InChI=1S/C16H20N2O3/c17-16(20)12-5-6-15(19)18(10-12)9-11-7-8-21-14-4-2-1-3-13(11)14/h1-4,11-12H,5-10H2,(H2,17,20)/t11-,12+/m1/s1
SMILES: c1ccc2c(c1)[C@H](CCO2)CN3C[C@H](CCC3=O)C(=O)N
c1ccc2c(c1)[C@H](CCO2)CN3C[C@H](CCC3=O)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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