2025-02-22_00000087
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ligand
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7HVL
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-0032685-001 (A71EV2A-x3557);
X-ray diffraction 1.40Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BPN
InChI=1S/C16H22N2O4/c1-21-13-6-5-11(14(9-13)22-2)8-15(19)18-7-3-4-12(10-18)16(17)20/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,17,20)/t12-/m0/s1
InChI=1S/C16H22N2O4/c1-21-13-6-5-11(14(9-13)22-2)8-15(19)18-7-3-4-12(10-18)16(17)20/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,17,20)/t12-/m0/s1
SMILES: COc1ccc(c(c1)OC)CC(=O)N2CCC[C@@H](C2)C(=O)N
COc1ccc(c(c1)OC)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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