1AER: Domain III of pseudomonas aeruginosa exotoxin

Domain III of pseudomonas aeruginosa exotoxin complexed with beta-tad. Determined by X-ray diffraction at 2.3 Å resolution. Released 10 Jun 1996.

Method: X-ray diffraction
Resolution: 2.3 Å
Organism: Pseudomonas aeruginosa
Chains: 2
Atoms: 3,209
Mol. weight: 47.1 kDa
Ligands: AMP, TIA, TAD
Released: 10 Jun 1996

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

Secondary structure: helices and β-sheets

1AER contains 26 α-helices and 22 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: 14 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	444-451	8
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	571-574	4
α-helix	580-582	3
α-helix	584-586	3
α-helix	589-592	4
α-helix	598-600	3
β-strand	601	1	2
α-helix	604-607	4

Chain B: 12 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	406-407	2
β-strand	408	1	4
β-strand	415	1	4
α-helix	419-431	13
β-strand	434-442	9	5
α-helix	444-452	9
β-strand	469-471	3	6
β-strand	472	1	5
α-helix	475-478	4
β-strand	497-504	8	5
α-helix	505-510	6
β-strand	511-513	3	6
α-helix	517	1
α-helix	523-531	9
α-helix	537	1
β-strand	541-544	4	6
β-strand	553-556	4	6
α-helix	558-561	4
β-strand	565-568	4	5
α-helix	584-586	3
α-helix	589-592	4
α-helix	596-599	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Exotoxin a	A, B	protein	211	Pseudomonas aeruginosa	P11439 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>1AER_1 EXOTOXIN A (chains A, B)
AFLGDGGDVSFSTRGTQNWTVERLLQAHRQLEERGYVFVGYHGTFLEAAQSIVFGGVRAR
SQDLDAIWRGFYIAGDPALAYGYAQDQEPDARGRIRNGALLRVYVPRSSLPGFYRTSLTL
AAPEAAGEVERLIGHPLPLRLDAITGPEEEGGRLETILGWPLAERTVVIPSAIPTDPRNV
GGDLDPSSIPDKEQAISALPDYASQPGKPPR

Ligands and cofactors

ID	Name	Formula	Copies
AMP	Adenosine monophosphate	C10 H14 N5 O7 P	1
TIA	2-(1,5-dideoxyribose)-4-amido-thiazole	C9 H12 N2 O4 S	1
TAD	Beta-methylene-thiazole-4-carboxyamide-adenine dinucleotide	C20 H27 N7 O13 P2 S	1

Primary citation

Crystal structure of the catalytic domain of Pseudomonas exotoxin A complexed with a nicotinamide adenine dinucleotide analog: implications for the activation process and for ADP ribosylation. Li, M., Dyda, F., Benhar, I. et al. Proc Natl Acad Sci U S A (1996) 93:6902-6906. DOI 10.1073/pnas.93.14.6902 · 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
1XK9 2.1 Å, Pseudomanas exotoxin A in complex with the PJ34 inhibitor
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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