3ZUR: PDB entry 3ZUR

Crystal structure of an engineered botulinum neurotoxin type A- SNARE23 derivative, LC0-A-SNAP25-Hn-A. Determined by X-ray diffraction at 2.71 Å resolution. Released 7 Dec 2011.

Method: X-ray diffraction
Resolution: 2.71 Å
Organisms: CLOSTRIDIUM BOTULINUM, HOMO SAPIENS
Chains: 2
Atoms: 13,823
Mol. weight: 217.62 kDa
Released: 7 Dec 2011

Explore 3ZUR in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3ZUR contains 89 α-helices and 86 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: 44 helices, 44 β-strands

Element	Residues	Length	Sheet
α-helix	13-14	2
β-strand	19-23	5	1
β-strand	26	1	2
β-strand	33-39	7	1
β-strand	42-48	7	1
α-helix	61-62	2
β-strand	73	1	3
α-helix	81-99	19
α-helix	102-113	12
α-helix	115-117	3
β-strand	119	1	4
β-strand	126-127	2	5
β-strand	128	1	4
α-helix	131-133	3
β-strand	134-138	5	1
β-strand	144-148	5	1
β-strand	151-155	5	1
β-strand	159	1	3
β-strand	164-167	4	1
β-strand	168	1	6
β-strand	184-187	4	1
β-strand	192-196	5	7
β-strand	213-214	2	7
α-helix	217-232	16
β-strand	242-243	2	8
β-strand	245	1	9
β-strand	252	1	10
β-strand	258-259	2	8
α-helix	260-266	7
α-helix	268-271	4
α-helix	276-299	24
β-strand	302-303	2	5
β-strand	306	1	11
α-helix	310-321	12
β-strand	324-325	2	12
β-strand	331-332	2	12
α-helix	335-343	9
α-helix	344-348	5
α-helix	351-358	8
β-strand	372-375	4	7
β-strand	385	1	13
β-strand	389	1	13
α-helix	402-404	3
β-strand	405	1	7
α-helix	410-412	3
β-strand	414-416	3	7
β-strand	426-431	6	14
β-strand	532-537	6	14
α-helix	538-540	3
β-strand	542	1	10
β-strand	545	1	9
α-helix	547-549	3
β-strand	558-560	3	15
α-helix	564-573	10
α-helix	575-582	8
α-helix	590-592	3
β-strand	596	1	11
β-strand	604	1	2
β-strand	607	1	6
α-helix	614-617	4
β-strand	621-624	4	14
α-helix	629-634	6
β-strand	647-649	3	16
α-helix	652-655	4
β-strand	660-662	3	16
α-helix	667-674	8
α-helix	679-681	3
α-helix	682-697	16
β-strand	701-702	2	17
β-strand	711-712	2	17
α-helix	716-720	5
α-helix	728-738	11
α-helix	739-743	5
α-helix	747-749	3
α-helix	754-757	4
β-strand	758-760	3	15
α-helix	761-762	2
α-helix	767-799	33
α-helix	801-831	31
α-helix	837-841	5
α-helix	845-874	30
α-helix	875-879	5
α-helix	880-904	25
α-helix	906-909	4
α-helix	910-912	3
α-helix	913-924	12
α-helix	927-930	4
α-helix	932-934	3

Chain B: 45 helices, 42 β-strands

Element	Residues	Length	Sheet
α-helix	12-14	3
β-strand	19-23	5	18
β-strand	26	1	19
α-helix	30-32	3
β-strand	33-39	7	18
β-strand	42-48	7	18
α-helix	61-62	2
α-helix	81-99	19
α-helix	102-113	12
α-helix	115-117	3
β-strand	119	1	20
β-strand	126-127	2	21
β-strand	128	1	20
α-helix	131-133	3
β-strand	134-138	5	18
β-strand	144-148	5	18
β-strand	151-155	5	18
β-strand	164-167	4	18
β-strand	168	1	22
β-strand	184-187	4	18
β-strand	192-196	5	23
α-helix	201-203	3
β-strand	213-214	2	23
α-helix	217-232	16
α-helix	236-238	3
β-strand	242	1	24
α-helix	244	1
β-strand	245	1	25
α-helix	246	1
β-strand	252	1	26
β-strand	259	1	24
α-helix	260-266	7
α-helix	268-273	6
α-helix	276-299	24
β-strand	302-303	2	21
β-strand	306	1	27
α-helix	310-321	12
β-strand	324-325	2	28
β-strand	331-332	2	28
α-helix	335-343	9
α-helix	344-348	5
α-helix	351-358	8
β-strand	372-375	4	23
β-strand	385	1	29
β-strand	389	1	29
α-helix	396-404	9
β-strand	405	1	23
α-helix	410-412	3
β-strand	414-415	2	23
β-strand	426-431	6	30
β-strand	532-537	6	30
α-helix	538-540	3
β-strand	542	1	26
β-strand	545	1	25
α-helix	547-549	3
β-strand	558	1	31
α-helix	567-569	3
α-helix	571-573	3
α-helix	575-583	9
α-helix	590-592	3
β-strand	596	1	27
β-strand	604	1	19
β-strand	607	1	22
α-helix	614-616	3
β-strand	621-624	4	30
α-helix	629-635	7
β-strand	647-649	3	32
β-strand	660-662	3	32
α-helix	667-674	8
α-helix	682-697	16
β-strand	701-702	2	33
β-strand	711-712	2	33
α-helix	714-716	3
α-helix	717-720	4
α-helix	731-738	8
α-helix	740-742	3
α-helix	747-749	3
α-helix	754-756	3
β-strand	758	1	31
α-helix	767-795	29
α-helix	796-801	6
α-helix	802-830	29
α-helix	845-878	34
α-helix	880-904	25
α-helix	915-923	9
α-helix	927-930	4
α-helix	932-934	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Botulinum neurotoxin type A, synaptosomal-associated protein	A, B	protein	960	CLOSTRIDIUM BOTULINUM, HOMO SAPIENS	P0DPI1 (AlphaFold model), P60880 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3ZUR_1 BOTULINUM NEUROTOXIN TYPE A, SYNAPTOSOMAL-ASSOCIATED PROTEIN (chains A, B)
MGSMEFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHNKIWVIPERDTFTNPEEG
DLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPF
WGGSTIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTR
NGYGSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHQLIYAGHRLYGIAI
NPNRVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTL
NKAKSIVGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKF
FKVLNRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLK
NFTGLFEFYKLLCVDGGGGSGGGGSGGGGSEMDENLEQVSGIIGNLRHMALDMGNEIDTQ
NRQIDRIMEKADSNKTRIDEANQRATKMLGSGANSALAGGGGSGGGGSGGGGSLQCIKVN
NWDLFFSPSEDNFTNDLNKGEEITSDTNIEAAEENISLDLIQQYYLTFNFDNEPENISIE
NLSSDIIGQLELMPNIERFPNGKKYELDKYTMFHYLRAQEFEHGKSRIALTNSVNEALLN
PSRVYTFFSSDYVKKVNKATEAAMFLGWVEQLVYDFTDETSEVSTTDKIADITIIIPYIG
PALNIGNMLYKDDFVGALIFSGAVILLEFIPEIAIPVLGTFALVSYIANKVLTVQTIDNA
LSKRNEKWDEVYKYIVTNWLAKVNTQIDLIRKKMKEALENQAEATKAIINYQYNQYTEEE
KNNINFNIDDLSSKLNESINKAMININKFLNQCSVSYLMNSMIPYGVKRLEDFDASLKDA
LLKYIYDNRGTLIGQVDRLKDKVNNTLSTDIPFQLSKYVDNQRLLSTLEAHHHHHHHHHH

Primary citation

Structures of Engineered Clostridium Botulinum Neurotoxin Derivatives. Masuyer, G., Stancombe, P., Chaddock, J.A. et al. Acta Crystallogr Sect F Struct Biol Cryst Commun (2011) 67:1466. DOI 10.1107/S1744309111034671 · PubMed

Other PDB entries of the same protein (UniProt P0DPI1 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3BON 1.2 Å, Structure of the C. botulinum neurotoxin serotype A with Zn2+ cofactor bound
4EL4 1.2 Å, Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S/C165S…
3BOK 1.25 Å, Structure of the C. botulinum neurotoxin serotype A apo-enzyme
3BOO 1.4 Å, Structure of the C. botulinum neurotoxin serotype A with an inhibitory peptide bound
5MK6 1.45 Å, Crystal structure of the receptor-binding domain of botulinum neurotoxin A1 (crystal…
3C8B 1.47 Å, Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with…
3DDA 1.5 Å, Crystal structure of the catalytic domain of Botulinum neurotoxin serotype a with a…
3QW7 1.5 Å, Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a…
3C8A 1.52 Å, Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with…
3C89 1.58 Å, Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with…
2VU9 1.6 Å, Crystal structure of botulinum neurotoxin serotype a binding domain in complex with GT1B
3C88 1.6 Å, Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with…

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