1MDK: Thioredoxin

High resolution solution NMR structure of mixed disulfide intermediate between human thioredoxin (C35A, C62A, C69A, C73A) mutant and a 13 residue peptide comprising its target site in human nfkb (residues 56-68 of the P50 subunit of nfkb). Determined by solution NMR. Released 3 Jun 1995.

Method: Solution NMR
Organism: Homo sapiens
Chains: 2
Atoms: 932
Mol. weight: 13.15 kDa
Released: 3 Jun 1995

Explore 1MDK in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1MDK contains 6 α-helices and 7 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: 6 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	2-5	4	1
α-helix	8-17	10
β-strand	23-27	5	1
α-helix	33-36	4
α-helix	39-42	4
α-helix	45-48	4
β-strand	53-57	5	1
α-helix	63-69	7
β-strand	74	1	2
β-strand	76-81	6	1
β-strand	84-90	7	1
α-helix	94-104	11

Chain B: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	7	1	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Thioredoxin	A	protein	105	Homo sapiens	P10599 (AlphaFold model)
Target site in human nfkb	B	protein	13		P19838 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>1MDK_1 THIOREDOXIN (chains A)
MVKQIESKTAFQEALDAAGDKLVVVDFSATWCGPAKMIKPFFHSLSEKYSNVIFLEVDVD
DAQDVASEAEVKATPTFQFFKKGQKVGEFSGANKEKLEATINELV

Sequence of entity 2 (B), FASTA

>1MDK_2 TARGET SITE IN HUMAN NFKB (chains B)
FRFRYVCEGPSHG

Primary citation

Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B. Qin, J., Clore, G.M., Kennedy, W.M. et al. Structure (1995) 3:289-297. DOI 10.1016/S0969-2126(01)00159-9 · 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
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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