3Q8E: Protective Antigen W346F

Crystal structure of Protective Antigen W346F (pH 8.5). Determined by X-ray diffraction at 2.1 Å resolution. Released 15 Feb 2012.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Bacillus anthracis
Chains: 1
Atoms: 5,615
Mol. weight: 82.81 kDa
Ligands: CA
Released: 15 Feb 2012

Explore 3Q8E in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3Q8E contains 31 α-helices and 55 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: 31 helices, 55 β-strands

Element	Residues	Length	Sheet
β-strand	19-24	6	1
β-strand	32-38	7	1
β-strand	42	1	2
β-strand	45	1	3
α-helix	47-49	3
α-helix	55-58	4
β-strand	59	1	4
β-strand	62-70	9	1
β-strand	75-81	7	5
α-helix	84-86	3
β-strand	87-91	5	1
β-strand	94-97	4	1
β-strand	105-108	4	5
β-strand	113-121	9	1
β-strand	129	1	4
β-strand	130	1	3
β-strand	133	1	2
β-strand	134-137	4	5
β-strand	143-145	3	5
α-helix	146-147	2
α-helix	148-150	3
β-strand	151-152	2	1
α-helix	185-190	6
β-strand	192-196	5	1
β-strand	201-205	5	1
α-helix	208-211	4
β-strand	219	1	1
α-helix	235-240	6
α-helix	249-252	4
β-strand	256	1	6
β-strand	262-273	12	7
α-helix	274-275	2
α-helix	284-286	3
β-strand	289-292	4	7
β-strand	293-297	5	8
β-strand	328-334	7	8
α-helix	335	1
α-helix	346-350	5
β-strand	358-368	11	7
β-strand	374	1	9
α-helix	378-380	3
β-strand	381-385	5	8
β-strand	389-394	6	8
β-strand	405	1	9
β-strand	409-411	3	7
β-strand	419-420	2	7
α-helix	429-431	3
β-strand	432-434	3	7
α-helix	436-445	10
β-strand	447-452	6	8
β-strand	458-463	6	10
β-strand	468-476	9	10
α-helix	477-479	3
α-helix	481-487	7
β-strand	488-493	6	6
β-strand	501-506	6	6
α-helix	513-516	4
α-helix	519-520	2
β-strand	522	1	11
α-helix	523-531	9
β-strand	534	1	12
β-strand	541-542	2	12
β-strand	545-546	2	12
α-helix	547-549	3
β-strand	550-554	5	6
α-helix	556-568	13
α-helix	574-576	3
α-helix	578-580	3
α-helix	581	1
β-strand	582	1	11
α-helix	583	1
β-strand	588-593	6	6
β-strand	596-598	3	13
β-strand	604-607	4	13
α-helix	609-615	7
β-strand	619-623	5	14
β-strand	626-629	4	14
α-helix	633-637	5
β-strand	639-647	9	15
β-strand	653-655	3	15
β-strand	666-668	3	14
β-strand	674-677	4	14
β-strand	695-702	8	15
α-helix	703-705	3
β-strand	724-730	7	15
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

>3Q8E_1 Protective antigen (chains A)
EVKQENRLLNESESSSQGLLGYYFSDLNFQAPMVVTSSTTGDLSIPSSELENIPSENQYF
QSAIWSGFIKVKKSDEYTFATSADNHVTMWVDDQEVINKASNSNKIRLEKGRLYQIKIQY
QRENPTEKGLDFKLYWTDSQNKKEVISSDNLQLPELKQKSSNSRKKRSTSAGPTVPDRDN
DGIPDSLEVEGYTVDVKNKRTFLSPWISNIHEKKGLTKYKSSPEKWSTASDPYSDFEKVT
GRIDKNVSPEARHPLVAAYPIVHVDMENIILSKNEDQSTQNTDSQTRTISKNTSTSRTHT
SEVHGNAEVHASFFDIGGSVSAGFSNSNSSTVAIDHSLSLAGERTFAETMGLNTADTARL
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)
1ACC 2.1 Å, Anthrax protective antigen
3Q8F 2.1 Å, Crystal structure of 2-Fluorohistine labeled Protective Antigen (pH 5.8)

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