4POM: Thioredoxin with mesna

Crystal structures of thioredoxin with mesna at 1.85A resolution. Determined by X-ray diffraction at 1.85 Å resolution. Released 29 Oct 2014.

Method: X-ray diffraction
Resolution: 1.85 Å
Organism: Homo sapiens
Chains: 4
Atoms: 3,520
Mol. weight: 48.49 kDa
Ligands: COM
Released: 29 Oct 2014

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

Secondary structure: helices and β-sheets

4POM contains 16 α-helices and 30 β-strands across 4 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: 5 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	2	1
β-strand	3-5	3	1
α-helix	8-17	10
β-strand	23-28	6	1
α-helix	33-48	16
β-strand	53-58	6	1
α-helix	63-68	6
β-strand	73-74	2	2
β-strand	76-81	6	1
β-strand	84-90	7	1
α-helix	94-104	11

Chain B: 4 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	3-4	2	3
α-helix	8-17	10
β-strand	23-28	6	3
α-helix	33-48	16
β-strand	53-58	6	3
α-helix	63-68	6
β-strand	73-74	2	4
β-strand	76-81	6	3
β-strand	84-90	7	3
α-helix	94-104	11

Chain C: 4 helices, 9 β-strands

Element	Residues	Length	Sheet
α-helix	2	1
β-strand	3-5	3	5
α-helix	8-17	10
β-strand	23-26	4	5
β-strand	30-32	3	6
β-strand	35-38	4	6
α-helix	40-48	9
β-strand	53-57	5	5
β-strand	63-64	2	2
β-strand	68-72	5	7
β-strand	76-81	6	5
β-strand	84-90	7	5
α-helix	94-104	11

Chain D: 3 helices, 9 β-strands

Element	Residues	Length	Sheet
β-strand	2-5	4	8
α-helix	8-18	11
β-strand	22-26	5	8
β-strand	30-32	3	6
β-strand	35-38	4	6
α-helix	40-46	7
β-strand	52-57	6	8
β-strand	63-64	2	4
β-strand	68-72	5	7
β-strand	76-81	6	8
β-strand	84-90	7	8
α-helix	94-104	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Thioredoxin	A, B, C, D	protein	109	Homo sapiens	P10599 (AlphaFold model)

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

>4POM_1 Thioredoxin (chains A, B, C, D)
GAGTMVKQIESKTAFQKALKAAGDKLVVVDFSATWCGPCKMIKPFFHSLSEKYSNVIFLE
VDVDDCQDVASECEVKCMPTFQFFKKGQKVGEFSGANKKKLEATINKLV

Ligands and cofactors

ID	Name	Formula	Copies
COM	1-thioethanesulfonic acid	C2 H6 O3 S2	2

Primary citation

BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity. Parker, A.R., Nienaber, V.L., Petluru, P.N. et al. J Pharmacol Clin Toxicol (2014) 2:1026.

Other PDB entries of the same protein (UniProt P10599 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4OO4 0.97 Å, Crystal Structure of Human Thioredoxin Mutant
3M9J 1.1 Å, Crystal structure of human thioredoxin C69/73S double mutant, reduced form
2IFQ 1.2 Å, Crystal structure of S-nitroso thioredoxin
2HSH 1.35 Å, Crystal structure of C73S mutant of human thioredoxin-1 oxidized with H2O2
5DQY 1.4 Å, A fully oxidized human thioredoxin
3M9K 1.5 Å, Crystal structure of human thioredoxin C69/73S double-mutant, oxidized form
4OO5 1.54 Å, Crystal Structure of S-nitrosated Human Thioredoxin Mutant
1ERV 1.65 Å, Human thioredoxin mutant with cys 73 replaced by ser (reduced form)
2HXK 1.65 Å, Crystal structure of S-nitroso thioredoxin
1ERT 1.7 Å, Human thioredoxin (reduced form)
2IIY 1.7 Å, Crystal structure of S-nitroso thioredoxin
3KD0 1.7 Å, Human thioredoxin C35S,C62S,C69S,C73S mutant showing cadmium chloride bound to the…

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