2025-02-22_00000131
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ligand
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7HWW
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-0034494-001 (A71EV2A-x3993);
X-ray diffraction 1.60Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BSK
InChI=1S/C19H24ClN3O4/c1-27-16-4-2-3-15(20)14(16)8-17(24)23-9-11(18(21)25)7-12(10-23)19(26)22-13-5-6-13/h2-4,11-13H,5-10H2,1H3,(H2,21,25)(H,22,26)
InChI=1S/C19H24ClN3O4/c1-27-16-4-2-3-15(20)14(16)8-17(24)23-9-11(18(21)25)7-12(10-23)19(26)22-13-5-6-13/h2-4,11-13H,5-10H2,1H3,(H2,21,25)(H,22,26)
SMILES: COc1cccc(c1CC(=O)N2C[C@@H](C[C@@H](C2)C(=O)NC3CC3)C(=O)N)Cl
COc1cccc(c1CC(=O)N2C[C@@H](C[C@@H](C2)C(=O)NC3CC3)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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