2025-02-22_00000104
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ligand
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7HW4
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-0032815-001 (A71EV2A-x3862);
X-ray diffraction 1.55Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BTG
InChI=1S/C16H22N2O4/c1-21-13-8-4-3-7-12(13)14(22-2)16(20)18-9-5-6-11(10-18)15(17)19/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H2,17,19)/t11-,14-/m0/s1
InChI=1S/C16H22N2O4/c1-21-13-8-4-3-7-12(13)14(22-2)16(20)18-9-5-6-11(10-18)15(17)19/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H2,17,19)/t11-,14-/m0/s1
SMILES: COc1ccccc1[C@H](C(=O)N2CCC[C@@H](C2)C(=O)N)OC
COc1ccccc1[C@H](C(=O)N2CCC[C@@H](C2)C(=O)N)OC
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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