1E1H: Botulinum neurotoxin type A light chain

Crystal Structure of recombinant Botulinum Neurotoxin Type A Light Chain, self-inhibiting Zn endopeptidase. Determined by X-ray diffraction at 1.8 Å resolution. Released 19 Jun 2003.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: CLOSTRIDIUM BOTULINUM
Chains: 4
Atoms: 7,230
Mol. weight: 105.56 kDa
Ligands: ZN
Released: 19 Jun 2003

Explore 1E1H in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1E1H contains 34 α-helices and 52 β-strands across 4 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: 8 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	11-13	3
β-strand	18-22	5	1
α-helix	29-31	3
β-strand	32-38	7	1
β-strand	41-47	7	1
α-helix	60-61	2
β-strand	72	1	2
α-helix	80-98	19
α-helix	101-112	12
α-helix	114-116	3
β-strand	118	1	3
β-strand	125-126	2	4
β-strand	127	1	3
β-strand	133-137	5	1
β-strand	143-147	5	1
β-strand	150-154	5	1
β-strand	158	1	2
β-strand	163-165	3	1
β-strand	183-186	4	1
β-strand	191-193	3	5
β-strand	194-197	4	6
β-strand	210-213	4	6
α-helix	216-231	16
α-helix	235-237	3
β-strand	241-245	5	7

Chain B: 9 helices, 9 β-strands

Element	Residues	Length	Sheet
β-strand	254-258	5	7
α-helix	259-265	7
α-helix	267-272	6
α-helix	275-298	24
β-strand	301-302	2	4
α-helix	309-320	12
β-strand	323-324	2	8
β-strand	330-331	2	8
α-helix	334-342	9
α-helix	343-347	5
α-helix	350-357	8
β-strand	372-374	3	5
β-strand	384	1	9
β-strand	388	1	9
α-helix	401-403	3
β-strand	404	1	6
α-helix	409-411	3
β-strand	413-414	2	5

Chain C: 7 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	12-13	2
β-strand	18-22	5	10
α-helix	29-31	3
β-strand	32-38	7	10
β-strand	41-47	7	10
α-helix	60-61	2
β-strand	72	1	11
α-helix	80-98	19
α-helix	101-112	12
α-helix	114-116	3
β-strand	118	1	12
β-strand	125-126	2	13
β-strand	127	1	12
β-strand	133-137	5	10
β-strand	143-147	5	10
β-strand	150-154	5	10
β-strand	158	1	11
β-strand	163-165	3	10
β-strand	183-186	4	10
β-strand	191-193	3	14
β-strand	194-197	4	15
β-strand	210-213	4	15
α-helix	216-232	17
β-strand	241-245	5	7

Chain D: 10 helices, 9 β-strands

Element	Residues	Length	Sheet
α-helix	251-253	3
β-strand	254-258	5	7
α-helix	259-265	7
α-helix	267-272	6
α-helix	275-298	24
β-strand	301-302	2	13
α-helix	309-320	12
β-strand	323-324	2	16
β-strand	330-331	2	16
α-helix	334-342	9
α-helix	343-347	5
α-helix	350-357	8
β-strand	372-374	3	14
β-strand	384	1	17
β-strand	388	1	17
α-helix	401-403	3
β-strand	404	1	15
α-helix	409-411	3
β-strand	413-414	2	14

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Botulinum neurotoxin type A light chain	A, C	protein	287	CLOSTRIDIUM BOTULINUM	Q45894 (AlphaFold model)
Botulinum neurotoxin type A light chain	B, D	protein	174	CLOSTRIDIUM BOTULINUM	Q45894 (AlphaFold model)

Sequence of entity 1 (A, C), FASTA

>1E1H_1 BOTULINUM NEUROTOXIN TYPE A LIGHT CHAIN (chains A, C)
MHHHHHHSSGLVPRGSGMKETAAAKFERQHMDSPDLGTDDDDKAMAYKDPVNGVDIAYIK
IPNAGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTDNE
KDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGS
YRSEELNLVIIGPSADIIQFECKSFGHDVLNLTRNGYGSTQYIRFSPDFTFGFEESLEVD
TNPLLGAGKFATDPAVTLAHELIHAEHRLYGIAINPNRVFKVNTNAY

Sequence of entity 2 (B, D), FASTA

>1E1H_2 BOTULINUM NEUROTOXIN TYPE A LIGHT CHAIN (chains B, D)
YEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDVASTLNKAKSIIGTTASL
QYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVNFFKVINRKTYLNFD
KAVFRINIVPDENYTIKDGFNLKGANLSTNFNGQNTEINSRNFTRLLEHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	2

Primary citation

Crystal Structure of Clostridium Botulinum Neurotoxin Protease in a Product-Bound State: Evidence for Noncanonical Zinc Protease Activity. Segelke, B.W., Knapp, M., Kadhkodayan, S. et al. Proc Natl Acad Sci U S A (2004) 101:6888. DOI 10.1073/PNAS.0400584101 · PubMed

Other PDB entries of the same protein (UniProt Q45894 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6F0O 1.6 Å, Botulinum neurotoxin A3 Hc domain
2G7N 1.9 Å, Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to small Molecule…
6ES1 2.0 Å, Crystal structure of the binding domain from botulinum neurotoxin A2 bound to…
2G7P 2.3 Å, Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule…
5MOY 2.3 Å, Crystal structure of the BoNT/A2 receptor-binding domain in complex with the luminal…
2G7Q 2.41 Å, Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule…
2G7K 2.8 Å, Structure of the Light Chain of Botulinum Neurotoxin, Serotype A Bound to small Molecule…
8JLE 2.82 Å, Cryo-EM structure of SV2A LD4 in complex with BoNT/A2 Hc in the…
8JLG 2.87 Å, Cryo-EM structure of SV2A in complex with BoNT/A2 Hc
8JLC 2.88 Å, Cryo-EM structure of SV2A in complex with BoNT/A2 Hc and levetiracetam
8JS8 2.88 Å, Cryo-EM structure of SV2A in complex with BoNT/A2 Hc and levetiracetam
8JLH 2.9 Å, Cryo-EM structure of SV2A dimer in complex with BoNT/A2 Hc and levetiracetam

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