2ETF: Botulinum neurotoxin B light chain

Crystal structure of full length botulinum neurotoxin (Type B) light chain. Determined by X-ray diffraction at 2.29 Å resolution. Released 6 Dec 2005.

Method: X-ray diffraction
Resolution: 2.29 Å
Organism: Clostridium botulinum
Chains: 2
Atoms: 7,388
Mol. weight: 102.65 kDa
Ligands: ZN
Released: 6 Dec 2005

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

Secondary structure: helices and β-sheets

2ETF contains 42 α-helices and 52 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: 21 helices, 26 β-strands

Element	Residues	Length	Sheet
α-helix	12-13	2
β-strand	18-22	5	1
α-helix	24-26	3
β-strand	33-39	7	1
β-strand	42-45	4	1
α-helix	55-58	4
α-helix	60-61	2
α-helix	64-66	3
β-strand	73	1	2
α-helix	81-98	18
α-helix	102-113	12
α-helix	115-117	3
β-strand	127-128	2	3
β-strand	136-140	5	1
α-helix	143	1
β-strand	150-154	5	1
β-strand	157-160	4	1
β-strand	165	1	2
β-strand	170-172	3	1
β-strand	175-176	2	4
β-strand	179-180	2	4
α-helix	181-183	3
β-strand	190-193	4	1
β-strand	198-199	2	5
β-strand	201-202	2	6
β-strand	219-220	2	6
α-helix	223-238	16
α-helix	242-244	3
β-strand	247-248	2	7
β-strand	263-264	2	7
α-helix	265-271	7
α-helix	276-278	3
α-helix	281-304	24
β-strand	307-308	2	3
α-helix	316-327	12
β-strand	330-331	2	8
β-strand	337-338	2	8
α-helix	341-349	9
α-helix	350-354	5
α-helix	357-363	7
α-helix	377-379	3
β-strand	380-382	3	5
β-strand	392	1	9
β-strand	396	1	9
β-strand	412	1	6
β-strand	420-421	2	5
α-helix	425-435	11

Chain B: 21 helices, 26 β-strands

Element	Residues	Length	Sheet
α-helix	12-13	2
β-strand	18-22	5	10
α-helix	24-26	3
β-strand	33-39	7	10
β-strand	42-45	4	10
α-helix	55-58	4
α-helix	60-61	2
β-strand	73	1	11
α-helix	81-98	18
α-helix	102-113	12
α-helix	115-117	3
β-strand	127-128	2	12
β-strand	136-140	5	10
α-helix	143	1
α-helix	147-148	2
β-strand	150-154	5	10
β-strand	157-160	4	10
β-strand	165	1	11
β-strand	170-172	3	10
β-strand	175-176	2	13
β-strand	179-180	2	13
α-helix	181-183	3
β-strand	190-193	4	10
β-strand	198-199	2	14
β-strand	201-202	2	15
β-strand	219-220	2	15
α-helix	223-238	16
α-helix	242-244	3
β-strand	247-248	2	16
β-strand	263-264	2	16
α-helix	265-271	7
α-helix	275-278	4
α-helix	281-304	24
β-strand	307-308	2	12
α-helix	316-327	12
β-strand	330-331	2	17
β-strand	337-338	2	17
α-helix	341-349	9
α-helix	350-354	5
α-helix	357-363	7
β-strand	380-382	3	14
β-strand	392	1	18
β-strand	396	1	18
α-helix	400-402	3
β-strand	412	1	15
β-strand	420-421	2	14
α-helix	425-435	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Botulinum neurotoxin B light chain	A, B	protein	441	Clostridium botulinum	P10844 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>2ETF_1 Botulinum neurotoxin B light chain (chains A, B)
MPVTINNFNYNDPIDNNNIIMMEPPFARGTGRYYKAFKITDRIWIIPERYTFGYKPEDFN
KSSGIFNRDVCEYYDPDYLNTNDKKNIFLQTMIKLFNRIKSKPLGEKLLEMIINGIPYLG
DRRVPLEEFNTNIASVTVNKLISNPGEVERKKGIFANLIIFGPGPVLNENETIDIGIQNH
FASREGFGGIMQMKFCPEYVSVFNNVQENKGASIFNRRGYFSDPALILMHELIHVLHGLY
GIKVDDLPIVPNEKKFFMQSTDAIQAEELYTFGGQDPSIITPSTDKSIYDKVLQNFRGIV
DRLNKVLVCISDPNININIYKNKFKDKYKFVEDSEGKYSIDVESFDKLYKSLMFGFTETN
IAENYKIKTRASYFSDSLPPVKIKNLLDNEIYTIEEGFNISDKDMEKEYRGQNKAINKQA
YEEISKEHLAVYKIQMCKSVK

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	2

Water and common crystallization additives (SO4) are not listed.

Primary citation

Crystal structure of full length botulinum neurotoxin (Type B) light chain. Eswaramoorthy, S., Swaminathan, S. To be published.

Other PDB entries of the same protein (UniProt P10844 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7NA9 1.76 Å, Crystal structure of BoNT/B-LC-JSG-C1
1EPW 1.9 Å, Crystal structure of clostridium neurotoxin type B
1S0E 1.9 Å, Crystal structure of botulinum neurotoxin type B at pH 6.0
5VMR 1.95 Å, Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.2110.4
1G9B 2.0 Å, Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor…
1S0B 2.0 Å, Crystal structure of botulinum neurotoxin type B at pH 4.0
1Z0H 2.0 Å, N-terminal helix reorients in recombinant C-fragment of Clostridium botulinum type B
6G5G 2.0 Å, Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in…
6G5K 2.0 Å, Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with…
1G9A 2.1 Å, Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor…
2NM1 2.15 Å, Structure of BoNT/B in complex with its protein receptor
1F82 2.2 Å, Botulinum neurotoxin type B catalytic domain

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