2025-02-22_00000140
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ligand
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7HX5
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-0032437-001 (A71EV2A-x4035);
X-ray diffraction 1.62Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BOU
InChI=1S/C14H18ClN3O3/c1-21-11-6-2-5-10(15)12(11)17-14(20)18-7-3-4-9(8-18)13(16)19/h2,5-6,9H,3-4,7-8H2,1H3,(H2,16,19)(H,17,20)/t9-/m0/s1
InChI=1S/C14H18ClN3O3/c1-21-11-6-2-5-10(15)12(11)17-14(20)18-7-3-4-9(8-18)13(16)19/h2,5-6,9H,3-4,7-8H2,1H3,(H2,16,19)(H,17,20)/t9-/m0/s1
SMILES: COc1cccc(c1NC(=O)N2CCC[C@@H](C2)C(=O)N)Cl
COc1cccc(c1NC(=O)N2CCC[C@@H](C2)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
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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