7UIE: HcE-JLE-G6

Crystal structure of HcE-JLE-G6. Determined by X-ray diffraction at 3.23 Å resolution. Released 5 Apr 2023.

Method: X-ray diffraction
Resolution: 3.23 Å
Organisms: Vicugna pacos, Clostridium botulinum
Chains: 10
Atoms: 21,293
Mol. weight: 323.18 kDa
Released: 5 Apr 2023

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

Secondary structure: helices and β-sheets

7UIE contains 40 α-helices and 279 β-strands across 10 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.

Chains A, F, H and J: 6 helices, 43 β-strands

Element	Residues	Length	Sheet
β-strand	851-854	4	4
β-strand	855-858	4	5
β-strand	861-864	4	5
β-strand	871-876	6	6
β-strand	879-880	2	4
β-strand	887-891	5	4
β-strand	896-901	6	6
β-strand	909-910	2	7
β-strand	915-922	8	4
β-strand	937-943	7	6
β-strand	949-955	7	6
β-strand	958-964	7	6
β-strand	970-976	7	6
β-strand	982	1	8
β-strand	990-997	8	4
β-strand	1002-1007	6	4
β-strand	1010-1016	7	4
β-strand	1023-1024	2	7
β-strand	1028-1034	7	6
β-strand	1041-1050	10	4
α-helix	1053-1055	3
α-helix	1056-1065	10
β-strand	1071	1	9
β-strand	1073	1	10
β-strand	1079	1	10
β-strand	1081	1	11
β-strand	1086-1090	5	12
β-strand	1096-1100	5	12
β-strand	1105	1	13
β-strand	1106-1111	6	12
α-helix	1112-1113	2
β-strand	1114-1115	2	8
β-strand	1118-1119	2	8
α-helix	1120	1
β-strand	1126-1131	6	12
β-strand	1141	1	11
β-strand	1143	1	9
β-strand	1146-1153	8	12
β-strand	1159-1161	3	12
β-strand	1162-1164	3	13
β-strand	1173-1174	2	12
β-strand	1175-1177	3	13
β-strand	1186-1193	8	12
β-strand	1196-1203	8	12
β-strand	1208-1215	8	12
β-strand	1218-1222	5	12
α-helix	1224-1226	3
α-helix	1235-1238	4
β-strand	1240-1243	4	12

Chains B, C and G: 2 helices, 13 β-strands

Element	Residues	Length	Sheet
β-strand	5-7	3	1
β-strand	11-12	2	2
β-strand	17-23	7	1
β-strand	32-39	8	3
β-strand	45-51	7	3
β-strand	58-60	3	3
β-strand	65	1	1
β-strand	68-72	5	1
β-strand	78-84	7	1
α-helix	88-90	3
β-strand	92-100	9	3
α-helix	113-115	3
β-strand	118-119	2	3
β-strand	123-125	3	3
β-strand	126-127	2	2

Chain D: 6 helices, 43 β-strands

Element	Residues	Length	Sheet
β-strand	851-854	4	17
β-strand	855-858	4	18
β-strand	861-864	4	18
β-strand	871-876	6	19
β-strand	879-880	2	17
β-strand	888-891	4	17
β-strand	896-901	6	19
β-strand	909-910	2	20
β-strand	915-922	8	17
β-strand	937-943	7	19
β-strand	949-955	7	19
β-strand	958-964	7	19
β-strand	970-976	7	19
β-strand	982	1	21
β-strand	990-997	8	17
β-strand	1002-1007	6	17
β-strand	1010-1016	7	17
β-strand	1023-1024	2	20
β-strand	1028-1034	7	19
β-strand	1041-1050	10	17
α-helix	1053-1055	3
α-helix	1056-1065	10
β-strand	1071	1	22
β-strand	1073	1	23
β-strand	1079	1	23
β-strand	1081	1	24
β-strand	1086-1090	5	25
β-strand	1096-1100	5	25
β-strand	1105	1	26
β-strand	1106-1111	6	25
α-helix	1112-1113	2
β-strand	1114-1115	2	21
β-strand	1118-1119	2	21
α-helix	1120	1
β-strand	1126-1131	6	25
β-strand	1141	1	24
β-strand	1143	1	22
β-strand	1147-1153	7	25
β-strand	1159-1161	3	25
β-strand	1162-1164	3	26
β-strand	1173-1174	2	25
β-strand	1175-1177	3	26
β-strand	1186-1193	8	25
β-strand	1196-1203	8	25
β-strand	1208-1215	8	25
β-strand	1218-1222	5	25
α-helix	1224-1226	3
α-helix	1235-1238	4
β-strand	1240-1243	4	25

Chain E: 2 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	3-7	5	27
β-strand	11-12	2	28
β-strand	17-25	9	27
β-strand	32-39	8	29
β-strand	45-51	7	29
β-strand	58-60	3	29
β-strand	68-72	5	27
β-strand	78-84	7	27
α-helix	88-90	3
β-strand	92-100	9	29
α-helix	113-115	3
β-strand	118-119	2	29
β-strand	123-125	3	29
β-strand	126-127	2	28

Chain I: 2 helices, 13 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	40
β-strand	11-12	2	41
β-strand	17-24	8	40
β-strand	32-39	8	42
β-strand	46-51	6	42
β-strand	58-60	3	42
β-strand	65	1	40
β-strand	68-72	5	40
β-strand	78-84	7	40
α-helix	88-90	3
β-strand	92-100	9	42
α-helix	113-115	3
β-strand	118-119	2	42
β-strand	123-125	3	42
β-strand	126-127	2	41

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Jle-G6	B, C, E, G, I	protein	138	Vicugna pacos
Botulinum neurotoxin E heavy chain	A, D, F, H, J	protein	423	Clostridium botulinum	Q00496 (AlphaFold model)

Sequence of entity 1 (B, C, E, G, I), FASTA

>7UIE_1 JLE-G6 (chains B, C, E, G, I)
SQLQLVETGGGLVKPGGSLRLSCVVSGFTFDDYRMAWVRQAPGKELEWVSSIDSWSINTY
YEDSVKGRFTISTDNAKNTLYLQMSSLKPEDTAVYYCAAEDRLGVPTINAHPSKYDYNYW
GQGTQVTVSSEPKTPKPQ

Sequence of entity 2 (A, D, F, H, J), FASTA

>7UIE_2 Botulinum neurotoxin E heavy chain (chains A, D, F, H, J)
HHHHHHGSLEVLFQGPRIKSSSVLNMRYKNDKYVDTSGYDSNININGDVYKYPTNKNQFG
IYNDKLSEVNISQNDYIIYDNKYKNFSISFWVRIPNYDNKIVNVNNEYTIINCMRDNNSG
WKVSLNHNEIIWTLQDNAGINQKLAFNYGNANGISDYINKWIFVTITNDRLGDSKLYING
NLIDQKSILNLGNIHVSDNILFKIVNCSYTRYIGIRYFNIFDKELDETEIQTLYSNEPNT
NILKDFWGNYLLYDKEYYLLNVLKPNNFIDRRKDSTLSINNIRSTILLANRLYSGIKVKI
QRVNNSSTNDNLVRKNDQVYINFVASKTHLFPLYADTATTNKEKTIKISSSGNRFNQVVV
MNSVGNNCTMNFKNNNGNNIGLLGFKADTVVASTWYYTHMRDHTNSNGCFWNFISEEHGW
QEK

Primary citation

Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2. Liu, Z., Lee, P.G., Krez, N. et al. Nat Commun (2023) 14:2338-2338. DOI 10.1038/s41467-023-37860-8 · 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…
9ARJ 3.4 Å, CryoEM structure of BoNT-NTNH-OrfX2 complex from Clostridium botulinum E1, major class

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