1F82: Botulinum neurotoxin type B catalytic domain

Botulinum neurotoxin type B catalytic domain. Determined by X-ray diffraction at 2.2 Å resolution. Released 16 Aug 2000.

Method: X-ray diffraction
Resolution: 2.2 Å
Organism: Clostridium botulinum
Chains: 1
Atoms: 3,694
Mol. weight: 49.08 kDa
Ligands: ZN
Released: 16 Aug 2000

Explore 1F82 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1F82 contains 18 α-helices and 23 β-strands across 1 chain. 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: 18 helices, 23 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	81-98	18
α-helix	102-113	12
α-helix	115-117	3
β-strand	127	1	2
β-strand	136-139	4	1
β-strand	151-154	4	1
β-strand	157-160	4	1
β-strand	170-172	3	1
β-strand	175-176	2	3
β-strand	179-180	2	3
α-helix	181-183	3
β-strand	190-193	4	1
β-strand	198-199	2	4
β-strand	201-202	2	5
β-strand	219-220	2	5
α-helix	223-238	16
α-helix	242-244	3
β-strand	247-248	2	6
β-strand	263-264	2	6
α-helix	265-271	7
α-helix	275-278	4
α-helix	281-304	24
β-strand	307	1	2
α-helix	316-327	12
β-strand	329-331	3	7
β-strand	337-339	3	7
α-helix	341-349	9
α-helix	350-354	5
α-helix	357-364	8
β-strand	380-381	2	4
β-strand	392	1	8
β-strand	396	1	8
α-helix	400-402	3
α-helix	409-411	3
β-strand	412	1	5
α-helix	417-419	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Botulinum neurotoxin type B	A	protein	424	Clostridium botulinum	P10844 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>1F82_1 BOTULINUM NEUROTOXIN TYPE B (chains A)
PVTINNFNYNDPIDNNNIIMMEPPFARGTGRYYKAFKITDRIWIIPERYTFGYKPEDFNK
SSGIFNRDVCEYYDPDYLNTNDKKNIFLQTMIKLFNRIKSKPLGEKLLEMIINGIPYLGD
RRVPLEEFNTNIASVTVNKLISNPGEVERKKGIFANLIIFGPGPVLNENETIDIGIQNHF
ASREGFGGIMQMKFCPEYVSVFNNVQENKGASIFNRRGYFSDPALILMHELIHVLHGLYG
IKVDDLPIVPNEKKFFMQSTDAIQAEELYTFGGQDPSIITPSTDKSIYDKVLQNFRGIVD
RLNKVLVCISDPNININIYKNKFKDKYKFVEDSEGKYSIDVESFDKLYKSLMFGFTETNI
AENYKIKTRASYFSDSLPPVKIKNLLDNEIYTIEEGFNISDKDMEKEYRGQNKAINKQAY
EEIS

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	1

Primary citation

Cocrystal structure of synaptobrevin-II bound to botulinum neurotoxin type B at 2.0 A resolution. Hanson, M.A., Stevens, R.C. Nat Struct Biol (2000) 7:687-692. DOI 10.1038/77997 · PubMed

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
1G9D 2.2 Å, Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor…

Browse structure collections

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