1XK9: Pseudomanas exotoxin A

Pseudomanas exotoxin A in complex with the PJ34 inhibitor. Determined by X-ray diffraction at 2.1 Å resolution. Released 17 May 2005.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Pseudomonas aeruginosa
Chains: 2
Atoms: 3,535
Mol. weight: 47.52 kDa
Ligands: P34
Released: 17 May 2005

Explore 1XK9 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1XK9 contains 25 α-helices and 25 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: 12 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	408	1	1
β-strand	415	1	1
α-helix	419-431	13
β-strand	434-442	9	2
α-helix	444-452	9
β-strand	469-472	4	2
α-helix	475-479	5
β-strand	483	1	3
β-strand	495	1	3
β-strand	497-504	8	2
α-helix	505-510	6
β-strand	511-513	3	2
α-helix	523-531	9
α-helix	534	1
α-helix	537	1
β-strand	541-545	5	2
β-strand	552-556	5	2
α-helix	558-561	4
β-strand	565-568	4	2
α-helix	580-582	3
α-helix	584-586	3
α-helix	589-592	4
α-helix	596-600	5
β-strand	601	1	2

Chain B: 13 helices, 13 β-strands

Element	Residues	Length	Sheet
β-strand	408	1	4
β-strand	415	1	4
α-helix	419-431	13
β-strand	434-442	9	5
α-helix	444-453	10
β-strand	469-471	3	6
β-strand	472	1	5
α-helix	475-479	5
β-strand	483	1	7
β-strand	495	1	7
β-strand	497-504	8	5
α-helix	505-510	6
β-strand	511-513	3	6
α-helix	524-531	8
α-helix	534	1
α-helix	537	1
β-strand	541-545	5	6
β-strand	552-556	5	6
α-helix	558-561	4
β-strand	565-568	4	5
α-helix	571-573	3
α-helix	580-582	3
α-helix	584-586	3
α-helix	589-593	5
α-helix	596-599	4
β-strand	601	1	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Exotoxin A	A, B	protein	215	Pseudomonas aeruginosa	P11439 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>1XK9_1 Exotoxin A (chains A, B)
EFLGDGGDVSFSTRGTQNWTVERLLQAHRQLEERGYVFVGYHGTFLEAAQSIVFGGVRAR
SQDLDAIWRGFYIAGDPALAYGYAQDQEPDARGRIRNGALLRVYVPRSSLPGFYRTSLTL
AAPEAAGEVERLIGHPLPLRLDAITGPEEEGGRLETILGWPLAERTVVIPSAIPTDPRNV
GGDLDPSSIPDKEQAISALPDYASQPGKPPREDLK

Ligands and cofactors

ID	Name	Formula	Copies
P34	N~2~,N~2~-dimethyl-N~1~-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide	C17 H17 N3 O2	2

Primary citation

Structure-function analysis of water-soluble inhibitors of the catalytic domain of exotoxin A from Pseudomonas aeruginosa. Yates, S.P., Taylor, P.J., Joergensen, R. et al. Biochem J (2005) 385:667-675. DOI 10.1042/BJ20041480 · PubMed

Other PDB entries of the same protein (UniProt P11439 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1IKP 1.45 Å, Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A mutant
1IKQ 1.62 Å, Pseudomonas Aeruginosa Exotoxin A, wild type
1AER 2.3 Å, Domain III of pseudomonas aeruginosa exotoxin complexed with beta-tad
3B82 2.35 Å, Structure of the eEF2-ExoA(E546H)-NAD+ complex
1DMA 2.5 Å, Domain III of pseudomonas aeruginosa exotoxin complexed with nicotinamide and AMP
3B78 2.5 Å, Structure of the eEF2-ExoA(R551H)-NAD+ complex
3B8H 2.5 Å, Structure of the eEF2-ExoA(E546A)-NAD+ complex
1ZM9 2.8 Å, Structure of eEF2-ETA in complex with PJ34
1ZM4 2.9 Å, Structure of the eEF2-ETA-bTAD complex
2ZIT 3.0 Å, Structure of the eEF2-ExoA-NAD+ complex
1ZM2 3.07 Å, Structure of ADP-ribosylated eEF2 in complex with catalytic fragment of ETA
1ZM3 3.07 Å, Structure of the apo eEF2-ETA complex

Browse structure collections

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