2G7K: 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 2.8 Å resolution. Released 15 Aug 2006.

Method: X-ray diffraction
Resolution: 2.8 Å
Organism: Clostridium botulinum
Chains: 2
Atoms: 6,481
Mol. weight: 97.62 kDa
Released: 15 Aug 2006

Explore 2G7K in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2G7K contains 33 α-helices and 51 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, 26 β-strands

Element	Residues	Length	Sheet
α-helix	12-13	2
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	53-55	3
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	125-127	3	3
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	158	1	2
β-strand	163-165	3	1
β-strand	183-186	4	1
β-strand	191-193	3	4
β-strand	194-195	2	5
β-strand	203	1	6
β-strand	212-213	2	5
α-helix	216-231	16
β-strand	241-244	4	7
β-strand	255-258	4	7
α-helix	259-265	7
α-helix	267-270	4
α-helix	275-298	24
β-strand	301-303	3	3
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	4
β-strand	384	1	9
β-strand	388	1	9
α-helix	401-403	3
β-strand	404	1	5
α-helix	409-411	3
β-strand	413-414	2	4

Chain B: 16 helices, 25 β-strands

Element	Residues	Length	Sheet
β-strand	18-21	4	10
β-strand	22	1	11
α-helix	29-31	3
β-strand	32-35	4	10
β-strand	41-47	7	10
β-strand	72	1	12
α-helix	80-98	19
α-helix	101-112	12
β-strand	125	1	13
β-strand	133-137	5	11
β-strand	143-147	5	11
β-strand	150-154	5	10
β-strand	158	1	12
β-strand	163-166	4	10
α-helix	167-169	3
β-strand	183-186	4	10
β-strand	191-195	5	14
β-strand	203	1	6
β-strand	212-213	2	14
α-helix	216-231	16
β-strand	244	1	15
β-strand	255	1	15
α-helix	259-265	7
α-helix	267-270	4
α-helix	275-297	23
β-strand	301	1	13
α-helix	309-319	11
β-strand	323-324	2	16
β-strand	330-331	2	16
α-helix	334-342	9
α-helix	343-347	5
α-helix	350-353	4
α-helix	354-358	5
β-strand	371-374	4	14
β-strand	384	1	17
β-strand	388	1	17
α-helix	395-397	3
α-helix	401-403	3
β-strand	404	1	14
α-helix	409-411	3
β-strand	413-414	2	14

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

>2G7K_1 Botulinum neurotoxin type A (chains A, B)
MFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNP
PPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGS
TIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHDVLNLTRNGYG
STQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAEHRLYGIAINPNR
VFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDVASTLNKAK
SIIGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVNFFKVI
NRKTYLNFDKAVFRINIVPDENYTIKDGFNLKGANLSTNFNGQNTEINSRNFTRLKNFTG
LFEFY

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…
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…
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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