6S3A: Coxsackie B3 2C protein

Coxsackie B3 2C protein in complex with S-Fluoxetine. Determined by X-ray diffraction at 1.52 Å resolution. Released 13 Jan 2021.

Method: X-ray diffraction
Resolution: 1.52 Å
Organism: Coxsackievirus B3
Chains: 1
Atoms: 1,853
Mol. weight: 24.17 kDa
Ligands: SFX, ZN
Released: 13 Jan 2021

Explore 6S3A in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6S3A contains 12 α-helices and 9 β-strands across 1 chain. 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: 12 helices, 9 β-strands

Element	Residues	Length	Sheet
α-helix	120-122	3
β-strand	123-128	6	1
α-helix	135-149	15
β-strand	154-156	3	1
β-strand	172-178	7	1
α-helix	184-193	10
α-helix	204-206	3
β-strand	217-222	6	1
α-helix	232-241	10
β-strand	244-250	7	1
α-helix	252-254	3
β-strand	255-256	2	2
β-strand	259-260	2	2
α-helix	262-266	5
α-helix	268-269	2
α-helix	283-286	4
β-strand	290-294	5	1
β-strand	300-301	2	1
α-helix	303-318	16
α-helix	320-325	6
α-helix	326-328	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
2C protein	A	protein	215	Coxsackievirus B3	P03313

Sequence of entity 1 (A), FASTA

>6S3A_1 2C protein (chains A)
GSKCRIEPVCLLLHGSPGAGKSVATNLIGRSLAEKLNSSVYSLPPDPDHFDGYKQQAVVI
MDDLCQNPDGKDVSLFCQMVSSVDFVPPMAALEEKGILFTSPFVLASTNAGSINAPTVSD
SRALARRFHFDMNIEVISMYSQNGKINMPMSVKTCDDECCPVNFKKCCPLVCGKAIQFID
RRTQVRYSLDMLVTEMFREYNHRHSVGTTLEALFQ

Ligands and cofactors

ID	Name	Formula	Copies
SFX	(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine	C17 H18 F3 N O	1
ZN	Zinc ion	Zn	1

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

Primary citation

Fluoxetine targets an allosteric site in the enterovirus 2C AAA+ ATPase and stabilizes a ring-shaped hexameric complex. Hurdiss, D.L., El Kazzi, P., Bauer, L. et al. Sci Adv (2022) 8:eabj7615-eabj7615. DOI 10.1126/sciadv.abj7615 · PubMed

Other PDB entries of the same protein (UniProt P03313), best resolution first:

7W0Q 1.1 Å, TRIM7 in complex with C-terminal peptide of 2C
2ZU1 1.38 Å, crystal structure of CVB3 3C protease mutant C147A
7W0S 1.4 Å, TRIM7 in complex with C-terminal peptide of 2C
7W0T 1.57 Å, TRIM7 in complex with C-terminal peptide of 2C
7QUW 1.65 Å, CVB3-3Cpro in complex with inhibitor MG-78
2ZTX 1.72 Å, Complex structure of CVB3 3C protease with EPDTC
2ZTY 1.72 Å, crystal structure of 3C protease from CVB3 in space group C2
2ZU3 1.75 Å, Complex structure of CVB3 3C protease with TG-0204998
4WFZ 1.8 Å, Coxsackievirus B3 3Dpol RNA Dependent RNA Polymerase - NaCl Crystal Form
4WFX 1.81 Å, Coxsackievirus B3 Polymerase - F232L Mutant - NaCl Crystal Form
6T3W 1.82 Å, Coxsackie B3 2C protein in complex with S-Fluoxetine
8S6F 1.93 Å, A Structural Investigation of the Interaction between a GC-376-Based Peptidomimetic…

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