1HE1: Exoenzyme S

Crystal structure of the complex between the GAP domain of the Pseudomonas aeruginosa ExoS toxin and human Rac. Determined by X-ray diffraction at 2.0 Å resolution. Released 2 Jan 2001.

Method: X-ray diffraction
Resolution: 2.0 Å
Organisms: PSEUDOMONAS AERUGINOSA, HOMO SAPIENS
Chains: 4
Atoms: 5,525
Mol. weight: 68.99 kDa
Ligands: NI, GDP, AF3, MG
Released: 2 Jan 2001

Explore 1HE1 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1HE1 contains 40 α-helices and 16 β-strands across 4 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: 9 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	97-108	12
α-helix	110-119	10
α-helix	121-125	5
α-helix	128-138	11
α-helix	144-158	15
α-helix	162-172	11
β-strand	175-176	2	1
β-strand	179-180	2	1
α-helix	181-184	4
α-helix	190-197	8
α-helix	200-228	29

Chain B: 9 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	96-108	13
α-helix	110-119	10
α-helix	121-125	5
α-helix	128-138	11
α-helix	144-158	15
α-helix	162-173	12
β-strand	175-176	2	2
β-strand	179-180	2	2
α-helix	181-184	4
α-helix	190-197	8
α-helix	200-228	29

Chain C: 11 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	2-10	9	3
α-helix	16-25	10
β-strand	37-46	10	3
β-strand	49-58	10	3
α-helix	62-64	3
α-helix	68-71	4
β-strand	77-83	7	3
α-helix	87-92	6
α-helix	93-97	5
α-helix	98-104	7
β-strand	110-115	6	3
α-helix	117-121	5
α-helix	123-131	9
α-helix	136-138	3
α-helix	139-148	10
β-strand	153-156	4	3
α-helix	165-174	10

Chain D: 11 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	2-9	8	4
α-helix	16-25	10
β-strand	37-46	10	4
β-strand	49-58	10	4
α-helix	62-64	3
α-helix	68-71	4
β-strand	77-83	7	4
α-helix	87-92	6
α-helix	93-97	5
α-helix	98-104	7
β-strand	110-115	6	4
α-helix	117-119	3
α-helix	123-130	8
α-helix	136-138	3
α-helix	139-149	11
β-strand	153-156	4	4
α-helix	165-174	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Exoenzyme S	A, B	protein	135	PSEUDOMONAS AERUGINOSA	Q51451 (AlphaFold model)
Ras-related C3 botulinum toxin substrate 1	C, D	protein	176	HOMO SAPIENS	P63000 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>1HE1_1 EXOENZYME S (chains A, B)
ASSAVVFKQMVLQQALPMTLKGLDKASELATLTPEGLAREHSRLASGDGALRSLSTALAG
IRAGSQVEESRIQAGRLLERSIGGIALQQWGTTGGAASQLVLDASPELRREITDQLHQVM
SEVALLRQAVESEVS

Sequence of entity 2 (C, D), FASTA

>1HE1_2 RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 1 (chains C, D)
PQAIKCVVVGDGAVGKTCLLISYTTNAFPGEYIPTVFDNYSANVMVDGKPVNLGLWDTAG
QEDYDRLRPLSYPQTDVFLICFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLR
DDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSALTQRGLKTVFDEAIRAV

Ligands and cofactors

ID	Name	Formula	Copies
NI	Nickel (II) ion	Ni	4
GDP	Guanosine-5'-diphosphate	C10 H15 N5 O11 P2	2
AF3	Aluminum fluoride	Al F3	2
MG	Magnesium ion	Mg	2

Primary citation

How the Pseudomonas Aeruginosa Exos Toxin Downregulates Rac. Wurtele, M., Wolf, E., Pederson, K.J. et al. Nat Struct Biol (2001) 8:23. DOI 10.1038/83007 · PubMed

Other PDB entries of the same protein (UniProt Q51451 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1HE9 2.4 Å, Crystal structure of the GAP domain of the Pseudomonas aeruginosa ExoS toxin
2C23 2.65 Å, 14-3-3 Protein Beta (Human) in complex with exoenzyme S peptide

Browse structure collections

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