2025-02-22_00000196
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ligand
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7HYP
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-0036225-001 (A71EV2A-x4403);
X-ray diffraction 1.57Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BPZ
InChI=1S/C15H21N3O4S/c16-15(20)12-6-3-7-18(9-12)14(19)8-11-4-1-2-5-13(11)10-23(17,21)22/h1-2,4-5,12H,3,6-10H2,(H2,16,20)(H2,17,21,22)/t12-/m0/s1
InChI=1S/C15H21N3O4S/c16-15(20)12-6-3-7-18(9-12)14(19)8-11-4-1-2-5-13(11)10-23(17,21)22/h1-2,4-5,12H,3,6-10H2,(H2,16,20)(H2,17,21,22)/t12-/m0/s1
SMILES: c1ccc(c(c1)CC(=O)N2CCC[C@@H](C2)C(=O)N)CS(=O)(=O)N
c1ccc(c(c1)CC(=O)N2CCC[C@@H](C2)C(=O)N)CS(=O)(=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
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Model
Reference
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