7QFP: Botulinum neurotoxin serotype E

Name: PDB 7QFP: Cryo-EM structure of Botulinum neurotoxin serotype E
Published: 2022-01-26
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: toxin

Cryo-EM structure of Botulinum neurotoxin serotype E. Determined by electron microscopy at 3.7 Å resolution. Released 26 Jan 2022.

Method: Electron microscopy
Resolution: 3.7 Å
Organism: Clostridium botulinum
Chains: 1
Atoms: 9,996
Mol. weight: 145.99 kDa
Released: 26 Jan 2022

Explore 7QFP in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7QFP contains 28 α-helices and 64 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: 28 helices, 64 β-strands

Element	Residues	Length	Sheet
β-strand	36-38	3	1
β-strand	47-49	3	1
β-strand	50-51	2	2
β-strand	57-58	2	2
β-strand	83-85	3	3
β-strand	86	1	4
α-helix	96-110	15
α-helix	119-125	7
β-strand	149-150	2	5
β-strand	152	1	1
β-strand	160-161	2	5
β-strand	165-167	3	2
β-strand	173	1	4
β-strand	180-181	2	2
α-helix	185-187	3
β-strand	199-201	3	2
β-strand	207	1	6
β-strand	210-211	2	7
β-strand	219-220	2	7
α-helix	223-237	15
β-strand	249-250	2	8
β-strand	252	1	9
β-strand	264-265	2	8
α-helix	266-272	7
α-helix	282-304	23
α-helix	314-316	3
α-helix	319-323	5
β-strand	327-328	2	10
β-strand	334-335	2	10
α-helix	338-348	11
α-helix	353-359	7
α-helix	375	1
β-strand	376-377	2	6
α-helix	395-398	4
β-strand	405	1	7
β-strand	413-414	2	6
β-strand	421-423	3	3
β-strand	455	1	9
α-helix	536-543	8
α-helix	545-546	2
α-helix	574-580	7
α-helix	586-588	3
α-helix	589-604	16
α-helix	638-645	8
α-helix	663-665	3
α-helix	677-709	33
α-helix	711-728	18
α-helix	731-741	11
α-helix	761-816	56
α-helix	831-835	5
β-strand	872-873	2	11
β-strand	880-881	2	11
β-strand	889-891	3	12
β-strand	896	1	13
β-strand	905-906	2	13
β-strand	915-917	3	12
β-strand	934-938	5	14
α-helix	946-948	3
β-strand	954-958	5	15
β-strand	966-972	7	15
β-strand	975-981	7	15
β-strand	990-993	4	15
β-strand	1008-1012	5	14
β-strand	1019-1024	6	14
β-strand	1027-1033	7	14
β-strand	1046	1	12
β-strand	1047-1051	5	15
β-strand	1060-1061	2	13
β-strand	1065-1066	2	14
α-helix	1073-1082	10
β-strand	1088	1	16
β-strand	1090	1	17
β-strand	1096	1	17
α-helix	1097	1
β-strand	1103	1	18
β-strand	1104-1107	4	19
β-strand	1113-1117	5	20
β-strand	1122	1	21
β-strand	1123-1128	6	20
β-strand	1144	1	18
β-strand	1160	1	16
β-strand	1168-1169	2	18
α-helix	1173-1175	3
β-strand	1177-1178	2	18
β-strand	1189	1	22
β-strand	1193	1	21
β-strand	1204-1209	6	19
β-strand	1214-1219	6	19
β-strand	1225-1226	2	19
β-strand	1228-1229	2	22
β-strand	1238-1239	2	22
β-strand	1257-1260	4	19

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Botulinum neurotoxin	A	protein	1269	Clostridium botulinum	Q00496 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7QFP_1 Botulinum neurotoxin (chains A)
MGHHHHHHHHHEDLYFQSPKINSFNYNDPVNDRTILYIKPGGCQEFYKSFNIMKNIWIIP
ERNVIGTTPQDFHPPTSLKNGDSSYYDPNYLQSDEEKDRFLKIVTKIFNRINNNLSGGIL
LEELSKANPYLGNDNTPDNQFHIGDASAVEIKFSNGSQDILLPNVIIMGAEPDLFETNSS
NISLRNNYMPSNHGFGSIAIVTFSPEYSFRFNDNSMNEFIQDPALTLMHQLIYSLHGLYG
AKGITTKYTITQKQNPLITNIRGTNIEEFLTFGGTDLNIITSAQSNDIYTNLLADYKKIA
SKLSKVQVSNPLLNPYKDVFEAKYGLDKDASGIYSVNINKFNDIFKKLYSFTEFDLATKF
QVKCRQTYIGQYKYFKLSNLLNDSIYNISEGYNINNLKVNFRGQNANLNPRIITPITGRG
LVKKIIRFCKNIVSVKGIRKSICIEINNGELFFVASENSYNDDNINTPKEIDDTVTSNNN
YENDLDQVILNFNSESAPGLSDEKLNLTIQNDAYIPKYDSNGTSDIEQHDVNELNVFFYL
DAQKVPEGENNVNLTSSIDTALLEQPKIYTFFSSEFINNVNKPVQAALFVSWIQQVLVDF
TTEANQKSTVDKIADISIVVPYIGLALNIGNEAQKGNFKDALELLGAGILLEFEPELLIP
TILVFTIKSFLGSSDNKNKVIKAINNALKERDEKWKEVYSFIVSNWMTKINTQFNKRKEQ
MYQALQNQVNAIKTIIESKYNSYTLEEKNELTNKYDIKQIENELNQKVSIAMNNIDRFLT
ESSISYLMKLINEVKINKLREYDENVKTYLLNYIIQHGSILGESQQELNSMVTDTLNNSI
PFKLSSYTDDKILISYFNKFFKRIKSSSVLNMRYKNDKYVDTSGYDSNININGDVYKYPT
NKNQFGIYNDKLSEVNISQNDYIIYDNKYKNFSISFWVRIPNYDNKIVNVNNEYTIINCM
RDNNSGWKVSLNHNEIIWTLQDNAGINQKLAFNYGNANGISDYINKWIFVTITNDRLGDS
KLYINGNLIDQKSILNLGNIHVSDNILFKIVNCSYTRYIGIRYFNIFDKELDETEIQTLY
SNEPNTNILKDFWGNYLLYDKEYYLLNVLKPNNFIDRRKDSTLSINNIRSTILLANRLYS
GIKVKIQRVNNSSTNDNLVRKNDQVYINFVASKTHLFPLYADTATTNKEKTIKISSSGNR
FNQVVVMNSVGNNCTMNFKNNNGNNIGLLGFKADTVVASTWYYTHMRDHTNSNGCFWNFI
SEEHGWQEK

Primary citation

Structural Analysis of Botulinum Neurotoxins Type B and E by Cryo-EM. Kosenina, S., Martinez-Carranza, M., Davies, J.R. et al. Toxins (Basel) (2021) 14. DOI 10.3390/toxins14010014 · PubMed

Other PDB entries of the same protein (UniProt Q00496 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1T3C 1.9 Å, Clostridium botulinum type E catalytic domain E212Q mutant
1T3A 2.16 Å, Crystal structure of Clostridium botulinum neurotoxin type E catalytic domain
1ZKW 2.17 Å, Crystal structure of Arg347Ala mutant of botulinum neurotoxin E catalytic domain
1ZL6 2.4 Å, Crystal structure of Tyr350Ala mutant of Clostridium botulinum neurotoxin E catalytic…
7K84 2.5 Å, Crystal structure of BoNT/E LC-HN domain in complex with VHH JLE-E5
1ZKX 2.52 Å, Crystal structure of Glu158Ala/Thr159Ala/Asn160Ala- a triple mutant of Clostridium…
7UIA 2.59 Å, Crystal structure of BoNT/E receptor binding domain in complex with SV2 and VHH
1ZL5 2.6 Å, Crystal structure of Glu335Gln mutant of Clostridium botulinum neurotoxin E catalytic…
1ZN3 2.6 Å, Crystal structure of Glu335Ala mutant of Clostridium botulinum neurotoxin type E
3FFZ 2.65 Å, Domain organization in Clostridium butulinum neurotoxin type E is unique: Its…
7UIB 2.77 Å, Crystal structure of BoNT/E receptor binding domain in complex with SV2, VHH, and sialic…
7UIE 3.23 Å, Crystal structure of HcE-JLE-G6

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