1PTO	Toxin	date	Mar 22, 1994
title	The Structure Of A Pertussis Toxin-Sugar Complex As A Model For Receptor Binding
authors	P.E.Stein, R.J.Read
compound		source
Molecule: Pertussis Toxin (Subunit S1) Chain: A, G Engineered: Yes Molecule: Pertussis Toxin Chain: B Other_details: Saccharide Contains Terminal N- Acetylneuraminic Acid (Alpha 2,6) Galactose; Molecule: Pertussis Toxin Chain: C, I Other_details: Saccharide Contains Terminal N- Acetylneuraminic Acid (Alpha 2,6) Galactose; Molecule: Pertussis Toxin (Subunit S4) Chain: D, E, J, K Engineered: Yes Molecule: Pertussis Toxin (Subunit S5) Chain: F, L Engineered: Yes Molecule: Pertussis Toxin (Subunit S2) Chain: H Engineered: Yes		Organism_scientific: Bordetella Pertussis Cell_line: S2 Organism_scientific: Bordetella Pertussis Cell_line: S2
symmetry	Space Group: P 21 21 21	R_factor	0.183
crystal cell	length a length b length c angle alpha angle beta angle gamma 163.800 98.200 194.500 90.00 90.00 90.00
method	X-Ray Diffraction	resolution	3.50 Å
ligand	GAL, SIA	enzyme
domain	The region which spans amino-acids 42-49 is required for enzymatic activity and contributes to the formation of a potentially important antigenic determinant.
similarity	Belongs to the pertussis toxin s2/s3 subunits family.[Pertussis_S1]
subunit	Pertussis toxin contains five different chains, s1-s5. They are organized into 2 functional subunits: a, composed of s1 (which is toxic) and b, containing s2, s3, s5, and two copies of s4 (b binds to the membrane receptors). Dimers of s2-s4 and s3-s4 are held together by s5.
Genes	BP3784, BP3785, BP3786, BP3787, PTXB, PTXC, PTXD, PTXE (B. pertussis)
function	In the absence of g proteins it also catalyzes the cleavage of nad(+) into adp-ribose and nicotinamide. Ptx oligomer b binds to receptors on the eukaryotic cell surface and facilitates the translocation of the toxic subunit across the cell membrane. It catalyzes the adp-ribosylation of a cysteine in the alpha subunit of heterotrimeric g proteins. It irreversibly uncouples the g-alpha gtp-binding proteins from their membrane receptors. S1 is an nad-dependent adp-ribosyltransferase.
Gene Ontology	Chain Function Process Component A, G NAD+ ADP-ribosyltransferase ... transferase activity transferase activity, transf... pathogenesis extracellular region B, H, C, I pathogenesis extracellular region membrane F, J, K, E, D, L pathogenesis membrane
Primary reference	Structure of a pertussis toxin-sugar complex as a model for receptor binding., Stein PE, Boodhoo A, Armstrong GD, Heerze LD, Cockle SA, Klein MH, Read RJ, Nat Struct Biol 1994 Sep;1(9):591-6. PMID:7634099

Data retrieval

Asymmetric unit, PDB entry: [header only] [complete with coordinates] (300 Kb) [Save to disk] Biological Unit Coordinates (1pto.pdb1.gz) 150 Kb Biological Unit Coordinates (1pto.pdb2.gz) 151 Kb CSU: Contacts of Structural Units for 1PTO Likely Quarternary Molecular Structure file(s) for 1PTO Retrieve 1PTO in mmCIF format [Save to disk]

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Structure-derived information

Dipole moment, from Dipole Server at Weizmann Institute Crystal Contacts, from CryCo at Weizmann Institute 3D motif for 1PTO, from MSDmotif at EBI Genome occurence of 1PTO's fold from GeneCensus Classification of representative domains in scop (Structural Classification of Proteins)     - Domain d1ptoa_, region A [Jmol] [rasmolscript] [script source]     - Domain d1ptob2, region B:4-89 [Jmol] [rasmolscript] [script source]     - Domain d1ptob1, region B:90-199 [Jmol] [rasmolscript] [script source]     - Domain d1ptoc2, region C:4-89 [Jmol] [rasmolscript] [script source]     - Domain d1ptoc1, region C:90-199 [Jmol] [rasmolscript] [script source]     - Domain d1ptod_, region D [Jmol] [rasmolscript] [script source]     - Domain d1ptoe_, region E [Jmol] [rasmolscript] [script source]     - Domain d1ptof_, region F [Jmol] [rasmolscript] [script source]     - Domain d1ptog_, region G [Jmol] [rasmolscript] [script source]     - Domain d1ptoh2, region H:2-89 [Jmol] [rasmolscript] [script source]     - Domain d1ptoh1, region H:90-199 [Jmol] [rasmolscript] [script source]     - Domain d1ptoi2, region I:4-89 [Jmol] [rasmolscript] [script source]     - Domain d1ptoi1, region I:90-199 [Jmol] [rasmolscript] [script source]     - Domain d1ptoj_, region J [Jmol] [rasmolscript] [script source]     - Domain d1ptok_, region K [Jmol] [rasmolscript] [script source]     - Domain d1ptol_, region L [Jmol] [rasmolscript] [script source] Fold representative 1pto from FSSP and Dali (Families of Structurally Similar Proteins) Class (fold), Architecture (subfold), Topology, Homologous superfamily from CATH Summaries and structural analyses of PDB data files from PDBSum Identification of Protein Pockets & Cavities at CASTp

Sequence-derived information

View one-letter amino acid or nucleotide sequence for each chain: [1pto_L] [1pto_K] [1pto_C] [1pto_D] [1pto_A] [1pto_G] [1pto_F] [1pto_B] [1pto_E] [1pto_H] [1pto_I] [1pto_J]

Other resources with information on 1PTO

InterPro: IPR005138 , IPR003899 , IPR003898 PDBREPORT (protein verification by WHAT_CHECK procedures) MMDB (Entrez's Structure Database)

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