2025-02-22_00000068
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ligand
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7HV2
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-0032103-001 (A71EV2A-x3305);
X-ray diffraction 1.37Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BTK
InChI=1S/C16H18N6O/c1-10-3-4-12-11(9-18-21(12)2)15(10)19-14-6-8-22(20-14)13-5-7-17-16(13)23/h3-4,6,8-9,13H,5,7H2,1-2H3,(H,17,23)(H,19,20)
InChI=1S/C16H18N6O/c1-10-3-4-12-11(9-18-21(12)2)15(10)19-14-6-8-22(20-14)13-5-7-17-16(13)23/h3-4,6,8-9,13H,5,7H2,1-2H3,(H,17,23)(H,19,20)
SMILES: Cc1ccc2c(c1Nc3ccn(n3)[C@H]4CCNC4=O)cnn2C
Cc1ccc2c(c1Nc3ccn(n3)[C@H]4CCNC4=O)cnn2C
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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