2025-02-22_00000220
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ligand
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7HZD
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-0036393-001 (A71EV2A-x4538);
X-ray diffraction 1.76Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BSA
InChI=1S/C14H14BrF3N2O2/c15-11-9(4-1-5-10(11)16)14(17,18)13(22)20-6-2-3-8(7-20)12(19)21/h1,4-5,8H,2-3,6-7H2,(H2,19,21)/t8-/m0/s1
InChI=1S/C14H14BrF3N2O2/c15-11-9(4-1-5-10(11)16)14(17,18)13(22)20-6-2-3-8(7-20)12(19)21/h1,4-5,8H,2-3,6-7H2,(H2,19,21)/t8-/m0/s1
SMILES: c1cc(c(c(c1)F)Br)C(C(=O)N2CCC[C@@H](C2)C(=O)N)(F)F
c1cc(c(c(c1)F)Br)C(C(=O)N2CCC[C@@H](C2)C(=O)N)(F)F
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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