2025-02-22_00000147
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ligand
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7HXC
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-0034391-001 (A71EV2A-x4239);
X-ray diffraction 1.38Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BS9
InChI=1S/C17H21ClN2O3/c1-23-15-7-3-5-13(18)11(15)8-16(21)20-9-12(17(19)22)10-4-2-6-14(10)20/h3,5,7,10,12,14H,2,4,6,8-9H2,1H3,(H2,19,22)/t10-,12-,14-/m1/s1
InChI=1S/C17H21ClN2O3/c1-23-15-7-3-5-13(18)11(15)8-16(21)20-9-12(17(19)22)10-4-2-6-14(10)20/h3,5,7,10,12,14H,2,4,6,8-9H2,1H3,(H2,19,22)/t10-,12-,14-/m1/s1
SMILES: COc1cccc(c1CC(=O)N2C[C@@H]([C@@H]3[C@H]2CCC3)C(=O)N)Cl
COc1cccc(c1CC(=O)N2C[C@@H]([C@@H]3[C@H]2CCC3)C(=O)N)Cl
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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