2025-02-22_00000081
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ligand
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7HVF
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-0032365-001 (A71EV2A-x3509);
X-ray diffraction 1.49Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BQN
InChI=1S/C14H16N4O2/c15-8-10-3-1-5-12(7-10)17-14(20)18-6-2-4-11(9-18)13(16)19/h1,3,5,7,11H,2,4,6,9H2,(H2,16,19)(H,17,20)/t11-/m0/s1
InChI=1S/C14H16N4O2/c15-8-10-3-1-5-12(7-10)17-14(20)18-6-2-4-11(9-18)13(16)19/h1,3,5,7,11H,2,4,6,9H2,(H2,16,19)(H,17,20)/t11-/m0/s1
SMILES: c1cc(cc(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N)C#N
c1cc(cc(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N)C#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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