2IFQ: S-nitroso thioredoxin

Crystal structure of S-nitroso thioredoxin. Determined by X-ray diffraction at 1.2 Å resolution. Released 5 Dec 2006.

Method: X-ray diffraction
Resolution: 1.2 Å
Organism: Homo sapiens
Chains: 3
Atoms: 2,800
Mol. weight: 35.49 kDa
Ligands: EOH
Released: 5 Dec 2006

Explore 2IFQ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2IFQ contains 14 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: 4 helices, 6 β-strands

Element	Residues	Length	Sheet
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	1	2
β-strand	76-81	6	1
β-strand	84-90	7	1
α-helix	94-104	11

Chain B: 5 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	2	1
β-strand	3-5	3	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	1	2
β-strand	76-81	6	3
β-strand	84-90	7	3
α-helix	94-104	11

Chain C: 5 helices, 5 β-strands

Element	Residues	Length	Sheet
α-helix	2	1
β-strand	3-5	3	4
α-helix	8-16	9
β-strand	23-28	6	4
α-helix	33-48	16
β-strand	53-58	6	4
α-helix	63-68	6
β-strand	76-81	6	4
β-strand	84-90	7	4
α-helix	94-104	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Thioredoxin	A, C	protein	105	Homo sapiens	P10599 (AlphaFold model)
Thioredoxin	B	protein	105	Homo sapiens	P10599 (AlphaFold model)

Sequence of entity 1 (A, C), FASTA

>2IFQ_1 Thioredoxin (chains A, C)
MVKQIESKTAFQEALDAAGDKLVVVDFSATWCGPCKMIKPFFHSLSEKYSNVIFLEVDVD
DCQDVASECEVKCMPTFQFFKKGQKVGEFSGANKEKLEATINELV

Sequence of entity 2 (B), FASTA

>2IFQ_2 Thioredoxin (chains B)
MVKQIESKTAFQEALDAAGDKLVVVDFSATWCGPCKMIKPFFHSLSEKYSNVIFLEVDVD
DCQDVASECEVKCMPTFQFFKKGQKVGEFSGANKEKLEATINELV

Ligands and cofactors

ID	Name	Formula	Copies
EOH	Ethanol	C2 H6 O	4

Primary citation

Buried s-nitrosocysteine revealed in crystal structures of human thioredoxin. Weichsel, A., Brailey, J.L., Montfort, W.R. Biochemistry (2007) 46:1219-1227. DOI 10.1021/bi061878r · PubMed

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
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…
1ERW 1.8 Å, Human thioredoxin double mutant with cys 32 replaced by ser and cys 35 replaced by ser

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