1BCP: Binary complex of pertussis toxin and ATP

Name: PDB 1BCP: Binary complex of pertussis toxin and ATP
Published: 1997-06-05
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: toxin

Binary complex of pertussis toxin and ATP. Determined by X-ray diffraction at 2.7 Å resolution. Released 5 Jun 1997.

Method: X-ray diffraction
Resolution: 2.7 Å
Organism: Bordetella pertussis
Chains: 12
Atoms: 14,621
Mol. weight: 211.37 kDa
Ligands: ATP
Released: 5 Jun 1997

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

Secondary structure: helices and β-sheets

1BCP contains 67 α-helices and 132 β-strands across 12 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.

Chains A and G: 11 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	6-11	6	1
α-helix	15-21	7
β-strand	23-24	2	2
β-strand	29	1	3
α-helix	32-37	6
α-helix	39-41	3
β-strand	48	1	3
β-strand	50-54	5	1
α-helix	57-75	19
β-strand	83-92	10	1
β-strand	97-99	3	1
α-helix	100-111	12
α-helix	113-115	3
α-helix	118-127	10
β-strand	129-133	5	1
β-strand	135-136	2	2
α-helix	138-140	3
β-strand	141-150	10	1
β-strand	155-160	6	1
α-helix	181-183	3
β-strand	191-193	3	4
β-strand	198-199	2	4
α-helix	200-206	7
β-strand	225-227	3	4
α-helix	228-231	4

Chain B: 8 helices, 16 β-strands

Element	Residues	Length	Sheet
α-helix	10-12	3
β-strand	13	1	5
β-strand	18	1	6
α-helix	19-21	3
α-helix	23-24	2
β-strand	27-29	3	5
α-helix	30-31	2
α-helix	32-37	6
α-helix	39-48	10
β-strand	54-57	4	6
β-strand	60-63	4	6
α-helix	65-67	3
β-strand	70-73	4	6
β-strand	85	1	6
β-strand	87-89	3	5
β-strand	91-92	2	7
β-strand	101-103	3	7
β-strand	107-114	8	7
β-strand	119-124	6	7
β-strand	129-135	7	7
α-helix	146-159	14
β-strand	165-173	9	7
β-strand	183-188	6	7
β-strand	189-191	3	8

Chain C: 8 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	10-12	3
β-strand	13	1	9
α-helix	17-18	2
β-strand	19	1	10
β-strand	22	1	10
β-strand	27-29	3	9
α-helix	30-31	2
α-helix	32-37	6
α-helix	39-48	10
β-strand	54-56	3	11
β-strand	61-63	3	11
β-strand	70-72	3	11
α-helix	78-81	4
β-strand	84	1	10
β-strand	85	1	11
β-strand	87-89	3	9
β-strand	91-93	3	7
β-strand	101-106	6	7
β-strand	108-113	6	7
β-strand	119-125	7	7
β-strand	128-135	8	7
α-helix	142-145	4
α-helix	146-158	13
β-strand	163-173	11	7
β-strand	183-191	9	7

Chains D and J: 2 helices, 5 β-strands

Element	Residues	Length	Sheet
β-strand	6-21	16	7
β-strand	24-36	13	7
α-helix	44-46	3
β-strand	48-55	8	7
α-helix	63-74	12
β-strand	78-89	12	7
β-strand	92-102	11	7

Chains E and K: 2 helices, 9 β-strands

Element	Residues	Length	Sheet
β-strand	6-9	4	7
β-strand	11-20	10	8
β-strand	27-36	10	8
α-helix	44-46	3
β-strand	48-51	4	8
β-strand	53-55	3	8
α-helix	63-74	12
β-strand	79-82	4	7
β-strand	86-88	3	8
β-strand	93-96	4	8
β-strand	100-101	2	7

Chain F: 3 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	7-20	14	8
β-strand	23-31	9	8
α-helix	36-37	2
β-strand	38-43	6	8
α-helix	52-65	14
β-strand	69-72	4	8
β-strand	84-85	2	8
β-strand	89-91	3	8
α-helix	92-93	2

Chain H: 7 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	10-12	3
β-strand	13	1	16
β-strand	18	1	17
α-helix	23-24	2
β-strand	27-29	3	16
α-helix	30-31	2
α-helix	32-37	6
α-helix	39-48	10
β-strand	54-57	4	17
β-strand	60-63	4	17
α-helix	65-67	3
β-strand	70-73	4	17
β-strand	85	1	17
β-strand	87-89	3	16
β-strand	91-92	2	18
β-strand	101-103	3	18
β-strand	107-114	8	18
β-strand	119-124	6	18
β-strand	129-135	7	18
α-helix	146-159	14
β-strand	165-173	9	18
β-strand	183-191	9	18

Chain I: 8 helices, 16 β-strands

Element	Residues	Length	Sheet
α-helix	10-12	3
β-strand	13	1	19
α-helix	17-18	2
β-strand	19	1	20
β-strand	22	1	20
β-strand	27-29	3	19
α-helix	30-31	2
α-helix	32-37	6
α-helix	39-46	8
β-strand	54-56	3	21
β-strand	61-63	3	21
β-strand	70-72	3	21
α-helix	78-81	4
β-strand	84	1	20
β-strand	85	1	21
β-strand	87-89	3	19
β-strand	91-93	3	18
β-strand	101-113	13	18
β-strand	119-125	7	18
β-strand	128-135	8	18
α-helix	142-145	4
α-helix	146-158	13
β-strand	163-173	11	18
β-strand	183-191	9	18

1 more chain groups are not listed. Open the entry in the viewer and use the sequence panel to see them.

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Pertussis toxin	A, G	protein	235	Bordetella pertussis	P04977 (AlphaFold model)
Pertussis toxin	B, H	protein	199	Bordetella pertussis	P04978 (AlphaFold model)
Pertussis toxin	C, I	protein	199	Bordetella pertussis	P04979 (AlphaFold model)
Pertussis toxin	D, E, J, K	protein	110	Bordetella pertussis	P0A3R5 (AlphaFold model)
Pertussis toxin	F, L	protein	99	Bordetella pertussis	P04981

Sequence of entity 1 (A, G), FASTA

>1BCP_1 PERTUSSIS TOXIN (chains A, G)
DDPPATVYRYDSRPPEDVFQNGFTAWGNNDNVLEHLTGRSCQVGSSNSAFVSTSSSRRYT
EVYLEHRMQEAVEAERAGRGTGHFIGYIYEVRADNNFYGAASSYFEYVDTYGDNAGRILA
GALATYQSEYLAHRRIPPENIRRVTRVYHNGITGETTTTEYSNARYVSQQTRANPNPYTS
RRSVASIVGTLVRMAPVVGACMARQAESSEAMAAWSERAGEAMVLVYYESIAYSF

Sequence of entity 2 (B, H), FASTA

>1BCP_2 PERTUSSIS TOXIN (chains B, H)
STPGIVIPPQEQITQHGSPYGRCANKTRALTVAELRGSGDLQEYLRHVTRGWSIFALYDG
TYLGGEYGGVIKDGTPGGAFDLKTTFCIMTTRNTGQPATDHYYSNVTATRLLSSTNSRLC
AVFVRSGQPVIGACTSPYDGKYWSMYSRLRKMLYLIYVAGISVRVHVSKEEQYYDYEDAT
FETYALTGISICNPGSSLC

Sequence of entity 3 (C, I), FASTA

>1BCP_3 PERTUSSIS TOXIN (chains C, I)
VAPGIVIPPKALFTQQGGAYGRCPNGTRALTVAELRGNAELQTYLRQITPGWSIYGLYDG
TYLGQAYGGIIKDAPPGAGFIYRETFCITTIYKTGQPAADHYYSKVTATRLLASTNSRLC
AVFVRDGQSVIGACASPYEGRYRDMYDALRRLLYMIYMSGLAVRVHVSKEEQYYDYEDAT
FQTYALTGISLCNPAASIC

Sequence of entity 4 (D, E, J, K), FASTA

>1BCP_4 PERTUSSIS TOXIN (chains D, E, J, K)
DVPYVLVKTNMVVTSVAMKPYEVTPTRMLVCGIAAKLGAAASSPDAHVPFCFGKDLKRPG
SSPMEVMLRAVFMQQRPLRMFLGPKQLTFEGKPALELIRMVECSGKQDCP

Sequence of entity 5 (F, L), FASTA

>1BCP_5 PERTUSSIS TOXIN (chains F, L)
GLPTHLYKNFTVQELALKLKGKNQEFCLTAFMSGRSLVRACLSDAGHEHDTWFDTMLGFA
ISAYALKSRIALTVEDSPYPGTPGDLLELQICPLNGYCE

Ligands and cofactors

ID	Name	Formula	Copies
ATP	Adenosine-5'-triphosphate	C10 H16 N5 O13 P3	2

Primary citation

Crystal structure of the pertussis toxin-ATP complex: a molecular sensor. Hazes, B., Boodhoo, A., Cockle, S.A. et al. J Mol Biol (1996) 258:661-671. DOI 10.1006/jmbi.1996.0277 · PubMed

Other PDB entries of the same protein (UniProt P04977 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7SNE 1.0 Å, Pertussis toxin S1 subunit bound to BaAD
7SKI 1.1 Å, Pertussis toxin in complex with PJ34
7U6Z 1.3 Å, Pertussis toxin E129D NAD
7SKY 1.37 Å, Pertussis toxin S1 bound to NAD+
7SKK 1.65 Å, pertussis toxin in complex with ADPR and Nicotinamide
6RO0 2.13 Å, Crystal structure of genetically detoxified pertussis toxin gdpt.
1PRT 2.9 Å, The crystal structure of pertussis toxin
1PTO 3.5 Å, The structure of a pertussis toxin-sugar complex as a model for receptor binding
9MR7 3.56 Å, Genetiocally detoxified pertussis toxin in complex with hu1B7 Fab and hu11E6 Fab

Browse structure collections

About this viewer

MolViewer shows 1BCP directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.