2G7P: Light Chain of Botulinum Neurotoxin Serotype A

Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors. Determined by X-ray diffraction at 2.3 Å resolution. Released 15 Aug 2006.

Method: X-ray diffraction
Resolution: 2.3 Å
Organism: Clostridium botulinum
Chains: 2
Atoms: 6,864
Mol. weight: 97.55 kDa
Ligands: ZN
Released: 15 Aug 2006

Explore 2G7P in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2G7P contains 36 α-helices and 53 β-strands across 2 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: 17 helices, 24 β-strands

Element	Residues	Length	Sheet
α-helix	12-13	2
β-strand	18-22	5	1
β-strand	32-38	7	1
β-strand	41-47	7	1
α-helix	53-55	3
α-helix	80-98	19
α-helix	101-112	12
α-helix	114-116	3
β-strand	118	1	2
β-strand	125-126	2	3
β-strand	127	1	2
α-helix	130-132	3
β-strand	133-137	5	1
β-strand	143-147	5	1
β-strand	150-154	5	1
β-strand	163-165	3	1
β-strand	183-186	4	1
β-strand	191-196	6	4
β-strand	203	1	5
β-strand	211-213	3	4
α-helix	216-231	16
β-strand	241-244	4	6
β-strand	255-258	4	6
α-helix	259-265	7
α-helix	267-270	4
α-helix	275-298	24
β-strand	301-302	2	3
α-helix	309-319	11
β-strand	323-324	2	7
β-strand	330-331	2	7
α-helix	334-342	9
α-helix	343-347	5
α-helix	350-357	8
β-strand	371-374	4	4
β-strand	384	1	8
β-strand	388	1	8
α-helix	395-397	3
α-helix	401-403	3
β-strand	404	1	4
α-helix	409-411	3
β-strand	413-416	4	4

Chain B: 19 helices, 29 β-strands

Element	Residues	Length	Sheet
α-helix	12-13	2
β-strand	18-21	4	9
β-strand	22	1	10
β-strand	32-38	7	9
β-strand	41-44	4	9
α-helix	59-61	3
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
α-helix	130-132	3
β-strand	133-137	5	10
β-strand	143-147	5	10
β-strand	150-153	4	9
β-strand	158	1	11
β-strand	163-165	3	9
β-strand	169	1	14
β-strand	172	1	14
β-strand	183-186	4	9
β-strand	191-196	6	15
β-strand	203	1	5
α-helix	207-208	2
β-strand	211-213	3	15
α-helix	214-215	2
α-helix	216-231	16
α-helix	235-237	3
β-strand	241-243	3	16
β-strand	256-258	3	16
α-helix	259-265	7
α-helix	267-270	4
α-helix	275-297	23
β-strand	301-302	2	13
α-helix	309-319	11
β-strand	323-324	2	17
β-strand	330-331	2	17
α-helix	334-342	9
α-helix	343-347	5
α-helix	350-357	8
β-strand	371-374	4	15
β-strand	384	1	18
β-strand	388	1	18
α-helix	401-403	3
β-strand	404	1	15
α-helix	409-411	3
β-strand	413-416	4	15

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Botulinum neurotoxin type A	A, B	protein	425	Clostridium botulinum	Q45894 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>2G7P_1 Botulinum neurotoxin type A (chains A, B)
MFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNP
PPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGS
TIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHDVLNLTRNGYG
STQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAEHRLYGIAINPNR
VFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDVASTLNKAK
SIIGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVNFFKVI
NAKTFLNFDKAVFRINIVPDENYTIKDGFNLKGANLSTNFNGQNTEINSRNFTRLKNFTG
LFEFY

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	2

Primary citation

Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate. Fu, Z., Chen, S., Baldwin, M.R. et al. Biochemistry (2006) 45:8903-8911. DOI 10.1021/bi060786z · 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
1E1H 1.8 Å, Crystal Structure of recombinant Botulinum Neurotoxin Type A Light Chain,…
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…
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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