2025-02-22_00000200
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ligand
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7HYT
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-0036226-001 (A71EV2A-x4420);
X-ray diffraction 1.60Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BSX
InChI=1S/C14H15ClN4O2/c15-11-3-8(4-12-10(11)5-17-18-12)6-19-7-9(14(16)21)1-2-13(19)20/h3-5,9H,1-2,6-7H2,(H2,16,21)(H,17,18)/t9-/m0/s1
InChI=1S/C14H15ClN4O2/c15-11-3-8(4-12-10(11)5-17-18-12)6-19-7-9(14(16)21)1-2-13(19)20/h3-5,9H,1-2,6-7H2,(H2,16,21)(H,17,18)/t9-/m0/s1
SMILES: c1c(cc(c2c1n[nH]c2)Cl)CN3C[C@H](CCC3=O)C(=O)N
c1c(cc(c2c1n[nH]c2)Cl)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
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Model
Reference
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