4X43: Proline-free E. coli Thioredoxin

Structure of proline-free E. coli Thioredoxin. Determined by X-ray diffraction at 1.65 Å resolution. Released 24 Jun 2015.

Method: X-ray diffraction
Resolution: 1.65 Å
Organism: Escherichia coli K-12
Chains: 3
Atoms: 2,748
Mol. weight: 34.67 kDa
Released: 24 Jun 2015

Explore 4X43 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4X43 contains 17 α-helices and 17 β-strands across 3 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, 7 β-strands

Element	Residues	Length	Sheet
α-helix	4	1
β-strand	5-6	2	1
α-helix	7	1
α-helix	12	1
α-helix	13-17	5
β-strand	23-28	6	1
α-helix	33-48	16
β-strand	50	1	2
β-strand	53	1	2
β-strand	54-59	6	1
α-helix	64-69	6
β-strand	77-82	6	1
β-strand	85-91	7	1
α-helix	96-106	11

Chain B: 6 helices, 5 β-strands

Element	Residues	Length	Sheet
β-strand	5-7	3	3
α-helix	12	1
α-helix	13-17	5
β-strand	22-28	7	3
α-helix	33-39	7
α-helix	42-48	7
β-strand	54-59	6	3
α-helix	64-69	6
β-strand	77-82	6	3
β-strand	85-91	7	3
α-helix	96-106	11

Chain C: 4 helices, 5 β-strands

Element	Residues	Length	Sheet
β-strand	5-6	2	4
α-helix	9-15	7
β-strand	23-28	6	4
α-helix	33-48	16
β-strand	54-59	6	4
α-helix	64-69	6
β-strand	77-82	6	4
β-strand	85-91	7	4
α-helix	96-106	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Thioredoxin-1	A, B, C	protein	108	Escherichia coli K-12	P0AA25 (AlphaFold model)

Sequence of entity 1 (A, B, C), FASTA

>4X43_1 Thioredoxin-1 (chains A, B, C)
SDKIIHLTDDSFDTDVLKADGAILVDFWAEWCGACKMIAAILDEIADEYQGKLTVAKLNI
DQNAGTAAKYGIRGIATLLLFKNGEVAATKVGALSKGQLKEFLDANLA

Primary citation

Acceleration of protein folding by four orders of magnitude through a single amino acid substitution. Roderer, D.J., Scharer, M.A., Rubini, M. et al. Sci Rep (2015) 5:11840-11840. DOI 10.1038/srep11840 · PubMed

Other PDB entries of the same protein (UniProt P0AA25 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4HUA 1.1 Å, E. coli thioredoxin variant with (4R)-FluoroPro76 as single proline residue
5HR3 1.1 Å, Crystal structure of thioredoxin N106A mutant
5HR2 1.2 Å, Crystal structure of thioredoxin L94A mutant
5HR0 1.31 Å, Crystal structure of thioredoxin E101G mutant
4HU7 1.4 Å, E. coli thioredoxin variant with Pro76 as single proline residue
4HU9 1.55 Å, E. coli thioredoxin variant with (4S)-FluoroPro76 as single proline residue
2TRX 1.68 Å, Crystal structure of thioredoxin from escherichia coli at 1.68 Å resolution
6Y4Y 1.75 Å, The crystal structure of human MACROD2 in space group P41212
1KEB 1.8 Å, Crystal Structure of Double Mutant M37L,P40S E.coli Thioredoxin
2EIQ 1.9 Å, Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal…
6Y4Z 1.9 Å, The crystal structure of human MACROD2 in space group P43212
6SLO 1.94 Å, Crystal structure of PUF60 UHM domain in complex with 7,8 dimethoxyperphenazine

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