8FBF: OrfX2 from Clostridium botulinum E1

Crystal structure of OrfX2 from Clostridium botulinum E1. Determined by X-ray diffraction at 1.85 Å resolution. Released 21 Dec 2022.

Method: X-ray diffraction
Resolution: 1.85 Å
Organism: Clostridium botulinum E1
Chains: 2
Atoms: 12,723
Mol. weight: 170.98 kDa
Released: 21 Dec 2022

Explore 8FBF in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8FBF contains 59 α-helices and 91 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: 29 helices, 45 β-strands

Element	Residues	Length	Sheet
α-helix	4-6	3
β-strand	7-10	4	1
α-helix	12-21	10
β-strand	33-38	6	2
β-strand	45-57	13	2
β-strand	67-80	14	2
β-strand	85-89	5	2
β-strand	94-98	5	2
β-strand	101-103	3	3
β-strand	109-111	3	3
α-helix	112	1
β-strand	117-121	5	2
α-helix	130-146	17
α-helix	148-156	9
β-strand	162-165	4	1
β-strand	175-180	6	4
α-helix	181-191	11
β-strand	197-204	8	5
β-strand	207-215	9	5
β-strand	219-221	3	6
β-strand	228-234	7	6
β-strand	235-242	8	5
β-strand	245-248	4	5
β-strand	249	1	7
α-helix	250	1
β-strand	254-260	7	6
β-strand	261-266	6	8
β-strand	275	1	9
β-strand	280-286	7	8
β-strand	298-303	6	6
β-strand	306	1	7
α-helix	312	1
α-helix	315-330	16
α-helix	331-333	3
β-strand	340-343	4	8
α-helix	345-346	2
β-strand	347	1	9
α-helix	350-355	6
β-strand	357-365	9	4
β-strand	368-370	3	10
β-strand	378-380	3	10
β-strand	386-393	8	4
α-helix	409-413	5
β-strand	417-422	6	4
α-helix	423-426	4
α-helix	427-431	5
α-helix	432-438	7
α-helix	443-445	3
β-strand	446-449	4	11
β-strand	454-457	4	11
β-strand	461-466	6	11
α-helix	468-470	3
β-strand	473-477	5	11
β-strand	482-487	6	11
β-strand	490-500	11	11
β-strand	508-523	16	11
β-strand	526-544	19	11
α-helix	545-550	6
α-helix	552-568	17
α-helix	577-584	8
β-strand	587-590	4	11
β-strand	593-598	6	11
α-helix	601-610	10
α-helix	614-632	19
α-helix	643-651	9
β-strand	654	1	11
α-helix	656-673	18
α-helix	683-696	14
α-helix	703-704	2
α-helix	705-713	9
β-strand	716-717	2	8
β-strand	722-732	11	4
β-strand	734-743	10	4
α-helix	744	1

Chain B: 30 helices, 46 β-strands

Element	Residues	Length	Sheet
α-helix	4-6	3
β-strand	7-10	4	12
α-helix	12-21	10
β-strand	33-38	6	13
β-strand	45-57	13	13
β-strand	67-80	14	13
β-strand	85-89	5	13
β-strand	94-98	5	13
β-strand	101-103	3	14
β-strand	109-111	3	14
α-helix	112	1
β-strand	117-121	5	13
α-helix	130-146	17
α-helix	148-156	9
β-strand	162-165	4	12
β-strand	175-180	6	15
α-helix	181-191	11
β-strand	197-204	8	16
β-strand	207-215	9	16
β-strand	219-221	3	17
β-strand	228-234	7	17
β-strand	235-242	8	16
β-strand	245-248	4	16
β-strand	249	1	18
α-helix	250	1
β-strand	254-260	7	17
β-strand	261-266	6	19
β-strand	275	1	20
β-strand	280-286	7	19
β-strand	298-303	6	17
β-strand	306	1	18
α-helix	312	1
α-helix	315-330	16
α-helix	331-333	3
β-strand	340-343	4	19
α-helix	345-346	2
β-strand	347	1	20
α-helix	350-355	6
β-strand	357-365	9	15
β-strand	368-371	4	21
β-strand	374-380	7	21
β-strand	386-393	8	15
α-helix	409-413	5
β-strand	417-422	6	15
α-helix	423-426	4
α-helix	427-431	5
α-helix	432-438	7
α-helix	443-445	3
β-strand	446-449	4	22
β-strand	454-457	4	22
β-strand	461-466	6	22
α-helix	468-470	3
β-strand	473-477	5	22
β-strand	482-487	6	22
β-strand	490-503	14	22
β-strand	506-523	18	22
β-strand	526-533	8	22
β-strand	538-544	7	22
α-helix	545-550	6
α-helix	552-568	17
α-helix	577-585	9
β-strand	587-590	4	22
β-strand	593-599	7	22
α-helix	601-609	9
α-helix	614-632	19
α-helix	643-651	9
β-strand	654	1	22
α-helix	656-673	18
α-helix	674-676	3
α-helix	683-695	13
α-helix	699-701	3
α-helix	703-704	2
α-helix	705-713	9
β-strand	716-717	2	19
β-strand	722-732	11	15
β-strand	734-743	10	15

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Neurotoxin complex component Orf-X2	A, B	protein	748	Clostridium botulinum E1	A0A6B4JMW3 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>8FBF_1 Neurotoxin complex component Orf-X2 (chains A, B)
MTNLKPYIIYDWKETILKNSKDNYSINESIPKIFSKKICGGRFFNSTLSGNWKSWTLTDE
GEGPHPVLKCTIDNGYLEIYSNTSSEKHSLKDIEIKVCMSIKPNSDGTHSLCKNSFYIKT
NSLKLSEDRLILSHCLDKLILAWFKDNHKYIELFINRSRIQTRVEGDLSLLGWDIESSVS
YKTMNEFIKKDNLYEKKFHQYMEVRRNEYTIDGEFGPWQMTTGADGQNIRFLCPIKSATY
KINDDVYIAKPDNFIIIQVDLKYFDSKTTIIDPSGLNNGQQFNLKVKTDSTDEINAVILV
GSRITDVNEDLYPGDDVSLEIVFKTWFNANIQKFTQIFSYILLNETSKIPEYQWLKPTQI
SYGSASVTMPDPSNPNKELSNLDASTFAAMAMVENHKNDRPNHAVDNRFLELSKTPAAFA
ISMPEFLKHFLVTGLQAMQIDNLDAFEVSSENLVITNKKKINFGKIQDQNRQVDALIEPN
NFKLAIQNNQVVVEIVDATWQQVVGVTGHFGYRQAYNLILKNENNVYKPMLEESGDVTIS
YMVTEEAWKTTQDAIISATVGLVVGTIIGTAFSKLSDKLYKFLKSKFIVKNKKASLKISG
KDINEVIEMSDISKPQLLSIKKANAKISTEEVGLISQNGSTSLENLAIFKNKPRPIGERV
QILGLKLVSGLITTFGWSIGFVLPDILKDVINANINNNFEVLPGIQQFTQQCIGSIQWPD
NSELKIDFAKLQGVYLLGGNLVKIPESN

Primary citation

Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1. Gao, L., Lam, K.H., Liu, S. et al. FEBS Lett (2023) 597:524-537. DOI 10.1002/1873-3468.14576 · PubMed

Other PDB entries of the same protein (UniProt A0A6B4JMW3 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9ARJ 3.4 Å, CryoEM structure of BoNT-NTNH-OrfX2 complex from Clostridium botulinum E1, major class

Browse structure collections

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