2025-02-22_00000170
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ligand
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7HXZ
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-0035368-001 (A71EV2A-x4321);
X-ray diffraction 1.58Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BPH
InChI=1S/C16H19N3O2/c17-8-7-12-4-1-2-5-13(12)10-15(20)19-9-3-6-14(11-19)16(18)21/h1-2,4-5,14H,3,6-7,9-11H2,(H2,18,21)/t14-/m0/s1
InChI=1S/C16H19N3O2/c17-8-7-12-4-1-2-5-13(12)10-15(20)19-9-3-6-14(11-19)16(18)21/h1-2,4-5,14H,3,6-7,9-11H2,(H2,18,21)/t14-/m0/s1
SMILES: c1ccc(c(c1)CC#N)CC(=O)N2CCC[C@@H](C2)C(=O)N
c1ccc(c(c1)CC#N)CC(=O)N2CCC[C@@H](C2)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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