2025-03-29_00000105
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ligand
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7I55
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-0036809-001 (A71EV2A-x4786);
X-ray diffraction 1.24Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B3M
InChI=1S/C11H18N2O2S/c12-10(14)8-2-1-4-13(6-8)11(15)9-3-5-16-7-9/h8-9H,1-7H2,(H2,12,14)/t8-,9-/m0/s1
InChI=1S/C11H18N2O2S/c12-10(14)8-2-1-4-13(6-8)11(15)9-3-5-16-7-9/h8-9H,1-7H2,(H2,12,14)/t8-,9-/m0/s1
SMILES: C1C[C@@H](CN(C1)C(=O)[C@@H]2CCSC2)C(=O)N
C1C[C@@H](CN(C1)C(=O)[C@@H]2CCSC2)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
100%