4OW6: Diphtheria Toxin at acidic pH

Crystal structure of Diphtheria Toxin at acidic pH. Determined by X-ray diffraction at 2.8 Å resolution. Released 2 Apr 2014.

Method: X-ray diffraction
Resolution: 2.8 Å
Organism: Corynebacterium diphtheriae
Chains: 2
Atoms: 7,374
Mol. weight: 116.82 kDa
Released: 2 Apr 2014

Explore 4OW6 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4OW6 contains 44 α-helices and 66 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: 21 helices, 32 β-strands

Element	Residues	Length	Sheet
α-helix	2-5	4
β-strand	6-15	10	1
β-strand	18-23	6	1
α-helix	31-33	3
α-helix	37-38	2
α-helix	48-50	3
β-strand	53-56	4	1
α-helix	59-63	5
β-strand	67	1	2
β-strand	77	1	2
β-strand	79-84	6	1
β-strand	88-94	7	1
α-helix	99-105	7
α-helix	114-118	5
α-helix	121-127	7
β-strand	134-139	6	1
β-strand	147-151	5	1
α-helix	155-158	4
β-strand	160-166	7	1
α-helix	176-182	7
α-helix	183-185	3
α-helix	207-214	8
α-helix	279-288	10
α-helix	291-294	4
α-helix	297-305	9
α-helix	310-312	3
β-strand	316-317	2	3
β-strand	320-321	2	3
α-helix	326-341	16
α-helix	344-346	3
α-helix	359-375	17
α-helix	378-380	3
β-strand	389	1	4
β-strand	394-398	5	4
α-helix	401-404	4
β-strand	405	1	5
β-strand	413-422	10	4
β-strand	427-428	2	6
β-strand	431-435	5	7
β-strand	437	1	8
β-strand	441	1	8
β-strand	442-443	2	4
β-strand	449-452	4	4
β-strand	455-458	4	4
β-strand	459-462	4	7
β-strand	468-473	6	7
β-strand	478-479	2	6
β-strand	480	1	9
β-strand	483	1	9
β-strand	485-492	8	4
β-strand	508-518	11	7
β-strand	521-530	10	7
β-strand	532	1	5

Chain B: 23 helices, 34 β-strands

Element	Residues	Length	Sheet
α-helix	2-4	3
β-strand	6	1	10
α-helix	8-10	3
β-strand	12-15	4	11
β-strand	18-23	6	11
α-helix	31-33	3
α-helix	37-38	2
α-helix	48-50	3
β-strand	53-56	4	11
α-helix	59-63	5
β-strand	67	1	12
β-strand	77	1	12
β-strand	79-84	6	11
β-strand	88-93	6	11
β-strand	94	1	10
α-helix	99-105	7
α-helix	114-117	4
α-helix	121-127	7
β-strand	134-139	6	11
β-strand	147-151	5	11
α-helix	155-158	4
β-strand	160-166	7	11
α-helix	176-182	7
α-helix	183-185	3
α-helix	207-217	11
α-helix	277-288	12
α-helix	291-294	4
α-helix	297-305	9
α-helix	310-312	3
β-strand	316	1	13
β-strand	321	1	13
α-helix	326-341	16
α-helix	344-347	4
α-helix	359-375	17
α-helix	378-380	3
α-helix	387-388	2
β-strand	389	1	14
β-strand	394-398	5	14
α-helix	401-404	4
β-strand	405-407	3	15
β-strand	412-422	11	14
β-strand	427-428	2	16
β-strand	431-435	5	17
β-strand	437	1	18
β-strand	441	1	18
β-strand	442-443	2	14
β-strand	449-452	4	14
β-strand	455-458	4	14
β-strand	459-463	5	17
β-strand	468-473	6	17
β-strand	478-479	2	16
β-strand	480	1	19
β-strand	483	1	19
β-strand	485-493	9	14
β-strand	508-518	11	17
β-strand	521-530	10	17
β-strand	532-534	3	15

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Diphtheria toxin	A, B	protein	535	Corynebacterium diphtheriae	P00588

Sequence of entity 1 (A, B), FASTA

>4OW6_1 Diphtheria toxin (chains A, B)
GADDVVDSSKSFVMENFSSYHGTKPGYVDSIQKGIQKPKSGTQGNYDDDWKGFYSTDNKY
DAAGYSVDNENPLSGKAGGVVKVTYPGLTKVLALKVDNAETIKKELGLSLTEPLMEQVGT
EEFIKRFGDGASRVVLSLPFAEGSSSVEYINNWEQAKALSVELEINFETRGKRGQDAMYE
YMAQACAGNRVRRSVGSSLSCINLDWDVIRDKTKTKIESLKEHGPIKNKMSESPNKTVSE
EKAKQYLEEFHQTALEHPELSELKTVTGTNPVFAGANYAAWAVNVAQVIDSETADNLEKT
TAALSILPGIGSVMGIADGAVHHNTEEIVAQSIALSSLMVAQAIPLVGELVDIGFAAYNF
VESIINLFQVVHNSYNRPAYSPGHKTQPFLHDGYAVSWNTVEDSIIRTGFQGESGHDIKI
TAENTPLPIAGVLLPTIPGKLDVNKSKTHISVNGRKIRMRCRAIDGDVTFCRPKSPVYVG
NGVHANLHVAFHRSSSEKIHSNEISSDSIGVLGYQKTVDHTKVNSKLSLFFEIKS

Primary citation

Diphtheria toxin conformational switching at acidic pH. Leka, O., Vallese, F., Pirazzini, M. et al. FEBS J (2014) 281:2115-2122. DOI 10.1111/febs.12783 · PubMed

Other PDB entries of the same protein (UniProt P00588), best resolution first:

1F0L 1.55 Å, 1.55 Å crystal structure of wild type diphtheria toxin
4AE0 2.0 Å, Crystal structure of diphtheria toxin mutant CRM197
1DDT 2.0 Å, The refined structure of dimeric diphtheria toxin at 2.0 Å resolution
4AE1 2.08 Å, Crystal structure of diphtheria toxin mutant CRM197 in complex with nicotinamide
1MDT 2.3 Å, The refined structure of monomeric diphtheria toxin at 2.3 Å resolution
1SGK 2.3 Å, Nucleotide-free diphtheria toxin
1TOX 2.3 Å, Diphtheria toxin dimer complexed with NAD
1DTP 2.5 Å, The structure of the isolated catalytic domain of diphtheria toxin
1XDT 2.65 Å, Complex of diphtheria toxin and heparin-binding epidermal growth factor

Browse structure collections

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