2025-02-22_00000141
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ligand
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7HX6
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-0034411-001 (A71EV2A-x4202);
X-ray diffraction 1.30Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BSH
InChI=1S/C16H19BrN2O2/c17-13-5-1-3-10-6-7-12(14(10)13)16(21)19-8-2-4-11(9-19)15(18)20/h1,3,5,11-12H,2,4,6-9H2,(H2,18,20)/t11-,12?/m0/s1
InChI=1S/C16H19BrN2O2/c17-13-5-1-3-10-6-7-12(14(10)13)16(21)19-8-2-4-11(9-19)15(18)20/h1,3,5,11-12H,2,4,6-9H2,(H2,18,20)/t11-,12?/m0/s1
SMILES: c1cc2c(c(c1)Br)[C@H](CC2)C(=O)N3CCC[C@@H](C3)C(=O)N
c1cc2c(c(c1)Br)[C@H](CC2)C(=O)N3CCC[C@@H](C3)C(=O)N
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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