3Q8A: WT Protective Antigen

Crystal structure of WT Protective Antigen (pH 5.5). Determined by X-ray diffraction at 3.13 Å resolution. Released 18 Jan 2012.

Method: X-ray diffraction
Resolution: 3.13 Å
Organism: Bacillus anthracis
Chains: 1
Atoms: 5,275
Mol. weight: 82.85 kDa
Ligands: CA
Released: 18 Jan 2012

Explore 3Q8A in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3Q8A contains 27 α-helices and 63 β-strands across 1 chain. 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: 27 helices, 63 β-strands

Element	Residues	Length	Sheet
β-strand	19-24	6	1
β-strand	32-38	7	1
β-strand	45	1	2
α-helix	47-49	3
β-strand	59	1	3
β-strand	62-67	6	1
β-strand	68-69	2	4
β-strand	70	1	5
β-strand	75-77	3	6
β-strand	78-81	4	7
β-strand	87-91	5	1
β-strand	94-97	4	1
β-strand	106-108	3	6
β-strand	113	1	5
β-strand	116-121	6	1
β-strand	129	1	3
β-strand	130	1	2
β-strand	134-137	4	7
β-strand	145	1	7
α-helix	148-150	3
β-strand	151-152	2	4
α-helix	185-190	6
β-strand	192-193	2	8
β-strand	196	1	9
β-strand	201	1	9
β-strand	203	1	1
β-strand	204-205	2	8
α-helix	208-212	5
α-helix	213-214	2
α-helix	216-218	3
β-strand	219	1	8
α-helix	235-239	5
α-helix	250-252	3
β-strand	256	1	10
α-helix	257-258	2
β-strand	262-266	5	11
β-strand	268-273	6	12
β-strand	289-292	4	12
β-strand	293-298	6	13
β-strand	328-334	7	13
β-strand	358-361	4	12
β-strand	363-368	6	11
β-strand	374	1	14
α-helix	378-380	3
β-strand	381-385	5	13
β-strand	389-394	6	13
β-strand	405	1	14
β-strand	409-411	3	11
α-helix	417-418	2
β-strand	419-420	2	11
α-helix	429-431	3
β-strand	432-434	3	12
α-helix	436-445	10
β-strand	447-452	6	13
β-strand	458-462	5	15
α-helix	463	1
β-strand	469-476	8	15
α-helix	477-479	3
α-helix	481-484	4
β-strand	488-493	6	10
β-strand	501-506	6	10
α-helix	513-516	4
α-helix	519-520	2
β-strand	522	1	16
α-helix	523-530	8
β-strand	534	1	17
β-strand	541-542	2	17
β-strand	545-546	2	17
α-helix	547-549	3
β-strand	550-554	5	10
α-helix	556-569	14
α-helix	574-576	3
α-helix	578-580	3
β-strand	582	1	16
β-strand	588-593	6	10
β-strand	598	1	18
β-strand	604	1	18
α-helix	609-615	7
β-strand	619-621	3	19
β-strand	626-629	4	19
α-helix	635-638	4
β-strand	639-647	9	20
β-strand	653-655	3	20
β-strand	666-668	3	19
β-strand	674-677	4	19
β-strand	695-702	8	20
α-helix	703-705	3
β-strand	724-725	2	20
β-strand	730	1	20
α-helix	731-733	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Protective antigen	A	protein	735	Bacillus anthracis	P13423 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>3Q8A_1 Protective antigen (chains A)
EVKQENRLLNESESSSQGLLGYYFSDLNFQAPMVVTSSTTGDLSIPSSELENIPSENQYF
QSAIWSGFIKVKKSDEYTFATSADNHVTMWVDDQEVINKASNSNKIRLEKGRLYQIKIQY
QRENPTEKGLDFKLYWTDSQNKKEVISSDNLQLPELKQKSSNSRKKRSTSAGPTVPDRDN
DGIPDSLEVEGYTVDVKNKRTFLSPWISNIHEKKGLTKYKSSPEKWSTASDPYSDFEKVT
GRIDKNVSPEARHPLVAAYPIVHVDMENIILSKNEDQSTQNTDSQTRTISKNTSTSRTHT
SEVHGNAEVHASFFDIGGSVSAGFSNSNSSTVAIDHSLSLAGERTWAETMGLNTADTARL
NANIRYVNTGTAPIYNVLPTTSLVLGKNQTLATIKAKENQLSQILAPNNYYPSKNLAPIA
LNAQDDFSSTPITMNYNQFLELEKTKQLRLDTDQVYGNIATYNFENGRVRVDTGSNWSEV
LPQIQETTARIIFNGKDLNLVERRIAAVNPSDPLETTKPDMTLKEALKIAFGFNEPNGNL
QYQGKDITEFDFNFDQQTSQNIKNQLAELNATNIYTVLDKIKLNAKMNILIRDKRFHYDR
NNIAVGADESVVKEAHREVINSSTEGLLLNIDKDIRKILSGYIVEIEDTEGLKEVINDRY
DMLNISSLRQDGKTFIDFKKYNDKLPLYISNPNYKVNVYAVTKENTIINPSENGDTSTNG
IKKILIFSKKGYEIG

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	2

Primary citation

pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2. Rajapaksha, M., Lovell, S., Janowiak, B.E. et al. Protein Sci (2012) 21:1467-1480. DOI 10.1002/pro.2136 · PubMed

Other PDB entries of the same protein (UniProt P13423 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3TEW 1.45 Å, Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) to…
4H2A 1.62 Å, Crystal structure of wild type protective antigen to 1.62 A (pH 7.5)
3MHZ 1.7 Å, 1.7A structure of 2-fluorohistidine labeled Protective Antigen
3TEX 1.7 Å, Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) to…
4NAM 1.7 Å, 1.7A structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y)
3TEZ 1.83 Å, Crystal Structure of Anthrax Protective Antigen Mutant S337C N664C and dithiolacetone…
4EE2 1.91 Å, Crystal Structure of Anthrax Protective Antigen K446M Mutant to 1.91-A Resolution
5FR3 1.94 Å, X-ray crystal structure of aggregation-resistant protective antigen of Bacillus…
3INO 1.95 Å, 1.95A Resolution Structure of Protective Antigen Domain 4
3Q8B 2.0 Å, Crystal structure of WT Protective Antigen (pH 9.0)
3Q8E 2.1 Å, Crystal structure of Protective Antigen W346F (pH 8.5)
1ACC 2.1 Å, Anthrax protective antigen

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