3QFB: Human thioredoxin reductase-thioredoxin complex

Crystal structure of the human thioredoxin reductase-thioredoxin complex. Determined by X-ray diffraction at 2.6 Å resolution. Released 27 Jul 2011.

Method: X-ray diffraction
Resolution: 2.6 Å
Organism: Homo sapiens
Chains: 4
Atoms: 9,621
Mol. weight: 141.96 kDa
Ligands: FAD
Released: 27 Jul 2011

Explore 3QFB in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3QFB contains 50 α-helices and 71 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: 21 helices, 31 β-strands

Element	Residues	Length	Sheet
β-strand	13-18	6	1
α-helix	22-31	10
α-helix	32-34	3
β-strand	38-41	4	1
α-helix	45-47	3
α-helix	58-62	5
α-helix	64-85	22
β-strand	88	1	2
β-strand	96	1	3
α-helix	98-122	25
β-strand	126-128	3	1
β-strand	130-131	2	4
β-strand	134-136	3	4
β-strand	139-144	6	4
β-strand	149-153	5	4
β-strand	154-159	6	1
β-strand	163-165	3	5
α-helix	173-176	4
β-strand	177-178	2	6
α-helix	180-183	4
β-strand	193-196	4	6
α-helix	200-211	12
β-strand	216-219	4	6
α-helix	230-242	13
β-strand	246-248	3	6
β-strand	251-260	10	7
β-strand	266-273	8	7
β-strand	279-284	6	7
β-strand	286-289	4	6
β-strand	293-295	3	5
β-strand	316	1	8
β-strand	323	1	1
β-strand	329-331	3	1
β-strand	336	1	8
α-helix	343-359	17
α-helix	363-365	3
β-strand	372-374	3	9
β-strand	380-384	5	9
α-helix	387-394	8
α-helix	396-398	3
β-strand	399-406	8	9
α-helix	409-411	3
β-strand	421-428	8	9
α-helix	429-431	3
β-strand	434-441	8	9
α-helix	445-456	12
β-strand	461	1	9
α-helix	462-466	5
α-helix	469-471	3
α-helix	475-480	6
β-strand	485	1	9
α-helix	493-495	3

Chain B: 20 helices, 30 β-strands

Element	Residues	Length	Sheet
β-strand	13-18	6	10
α-helix	22-31	10
α-helix	32-34	3
β-strand	38-41	4	10
α-helix	45-47	3
α-helix	58-62	5
α-helix	64-85	22
β-strand	88	1	3
β-strand	96	1	2
α-helix	98-122	25
β-strand	125-128	4	10
β-strand	134-136	3	11
β-strand	139-143	5	11
β-strand	149-153	5	11
β-strand	154-159	6	10
β-strand	163-165	3	12
α-helix	173-176	4
β-strand	177-178	2	13
α-helix	180-183	4
β-strand	193-196	4	13
α-helix	200-211	12
β-strand	216-220	5	13
α-helix	230-242	13
β-strand	246-249	4	13
β-strand	251-260	10	14
β-strand	266-273	8	14
β-strand	279-284	6	14
β-strand	286-289	4	13
β-strand	293-295	3	12
β-strand	316	1	15
β-strand	323	1	10
β-strand	329-331	3	10
β-strand	336	1	15
α-helix	343-359	17
α-helix	363-366	4
β-strand	372-374	3	16
β-strand	380-384	5	16
α-helix	387-394	8
α-helix	396-398	3
β-strand	399-406	8	16
α-helix	409-412	4
β-strand	421-428	8	16
α-helix	429-431	3
β-strand	434-441	8	16
α-helix	445-456	12
β-strand	461	1	16
α-helix	462-466	5
α-helix	469-471	3
α-helix	475-480	6
β-strand	485	1	16

Chain C: 4 helices, 5 β-strands

Element	Residues	Length	Sheet
β-strand	3	1	17
α-helix	8-17	10
β-strand	23-28	6	17
α-helix	33-48	16
β-strand	53-58	6	17
α-helix	63-69	7
β-strand	76-81	6	17
β-strand	84-90	7	17
α-helix	94-103	10

Chain D: 5 helices, 5 β-strands

Element	Residues	Length	Sheet
β-strand	3-5	3	18
α-helix	9-12	4
β-strand	23-28	6	18
α-helix	33-37	5
α-helix	39-43	5
β-strand	55-58	4	18
α-helix	63-68	6
β-strand	76-80	5	18
β-strand	85-90	6	18
α-helix	94-102	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Thioredoxin reductase 1, cytoplasmic	A, B	protein	519	Homo sapiens	Q16881
Thioredoxin	C, D	protein	116	Homo sapiens	P10599 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3QFB_1 Thioredoxin reductase 1, cytoplasmic (chains A, B)
MGSSHHHHHHSSGLVPRGSHMNGPEDLPKSYDYDLIIIGGGSGGLAAAKEAAQYGKKVMV
LDFVTPTPLGTRWGLGGTCVNVGCIPKKLMHQAALLGQALQDSRNYGWKVEETVKHDWDR
MIEAVQNHIGSLNWGYRVALREKKVVYENAYGQFIGPHRIKATNNKGKEKIYSAERFLIA
TGERPRYLGIPGDKEYCISSDDLFSLPYCPGKTLVVGASYVALECAGFLAGIGLDVTVMV
RSILLRGFDQDMANKIGEHMEEHGIKFIRQFVPIKVEQIEAGTPGRLRVVAQSTNSEEII
EGEYNTVMLAIGRDACTRKIGLETVGVKINEKTGKIPVTDEEQTNVPYIYAIGDILEDKV
ELTPVAIQAGRLLAQRLYAGSTVKCDYENVPTTVFTPLEYGACGLSEEKAVEKFGEENIE
VYHSYFWPLEWTIPSRDNNKCYAKIICNTKDNERVVGFHVLGPNAGEVTQGFAAALKCGL
TKKQLDSTIGIHPVCAEVFTTLSVTKRSGASILQAGSCG

Sequence of entity 2 (C, D), FASTA

>3QFB_2 Thioredoxin (chains C, D)
MRGSHHHHHHGSVKQIESKTAFQEALDAAGDKLVVVDFSATWCGPSKMIKPFFHSLSEKY
SNVIFLEVDVDDCQDVASECEVKSMPTFQFFKKGQKVGEFSGANKEKLEATINELV

Ligands and cofactors

ID	Name	Formula	Copies
FAD	Flavin-adenine dinucleotide	C27 H33 N9 O15 P2	2

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

Primary citation

Crystal structure of the human thioredoxin reductase-thioredoxin complex. Fritz-Wolf, K., Kehr, S., Stumpf, M. et al. Nat Commun (2011) 2:383-383. DOI 10.1038/ncomms1382 · PubMed

Other PDB entries of the same protein (UniProt Q16881), best resolution first:

3QFA 2.2 Å, Crystal structure of the human thioredoxin reductase-thioredoxin complex
2ZZC 2.6 Å, Crystal structure of NADP(H):human thioredoxin reductase I
2CFY 2.7 Å, Crystal structure of human thioredoxin reductase 1
2J3N 2.8 Å, X-ray structure of human thioredoxin reductase 1
2ZZ0 2.8 Å, Crystal structure of human thioredoxin reductase I (SeCys 498 Cys)
9UIN 3.03 Å, Human thioredoxin reductase 1 (SeCys 498 Cys) with Cu(I)
2ZZB 3.2 Å, Crystal structure of human thioredoxin reductase I and terpyridine platinum(II)
7X1R 3.9 Å, Cryo-EM structure of human thioredoxin reductase bound by Au

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