7GOW: Protease 3C

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z31432964. Determined by X-ray diffraction at 1.28 Å resolution. Released 29 Nov 2023.

Method
X-ray diffraction
Resolution
1.28 Å
Organism
Human Enterovirus D68
Chains
2
Atoms
3,229
Mol. weight
40.53 kDa
Ligands
SYX
Released
29 Nov 2023

Explore 7GOW in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7GOW contains 13 α-helices and 28 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 7 helices, 14 β-strands

ElementResiduesLengthSheet
α-helix2-1413
β-strand15-2061
β-strand23-3191
β-strand3212
β-strand34-3851
α-helix39-413
β-strand46-4941
β-strand52-63121
β-strand69-7791
α-helix821
β-strand8312
α-helix841
α-helix87-893
β-strand97-10481
β-strand112-127161
β-strand130-13891
α-helix1491
β-strand150-15341
β-strand156-16491
β-strand169-17351
α-helix176-1783
Chain B: 6 helices, 14 β-strands
ElementResiduesLengthSheet
α-helix2-1413
β-strand15-2061
β-strand23-3191
β-strand3213
β-strand34-3851
α-helix39-413
β-strand46-4941
β-strand52-63121
β-strand69-78101
α-helix81-822
β-strand8313
α-helix84-852
α-helix87-893
β-strand97-10481
β-strand112-127161
β-strand130-139101
β-strand150-15341
β-strand156-16491
β-strand168-17361
α-helix176-1783

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Protease 3CA, Bprotein182Human Enterovirus D68Q68T42 (AlphaFold model)
Sequence of entity 1 (A, B), FASTA
>7GOW_1 Protease 3C (chains A, B)
MGPGFDFAQAIMKKNTVIARTEKGEFTMLGVYDRVAVIPTHASVGEIIYINDVETRVLDA
CALRDLTDTNLEITIVKLDRNQKFRDIRHFLPRCEDDYNDAVLSVHTSKFPNMYIPVGQV
TNYGFLNLGGTPTHRILMYNFPTRAGQCGGVVTTTGKVIGIHVGGNGAQGFAAMLLHSYF
TD

Ligands and cofactors

IDNameFormulaCopies
SYX(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanoneC10 H18 N2 O21

Water and common crystallization additives (DMS) are not listed.

Primary citation

Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals. Lithgo, R.M., Tomlinson, C.W.E., Fairhead, M. et al. bioRxiv (2024). DOI 10.1101/2024.04.29.591684 · PubMed

Other PDB entries of the same protein (UniProt Q68T42 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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