1DMA: Domain III of pseudomonas aeruginosa exotoxin

Domain III of pseudomonas aeruginosa exotoxin complexed with nicotinamide and AMP. Determined by X-ray diffraction at 2.5 Å resolution. Released 15 Sept 1995.

Method
X-ray diffraction
Resolution
2.5 Å
Organism
Pseudomonas aeruginosa
Chains
2
Atoms
3,073
Mol. weight
47.26 kDa
Ligands
AMP, NCA
Released
15 Sept 1995

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

Secondary structure: helices and β-sheets

1DMA contains 25 α-helices and 24 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: 15 helices, 12 β-strands

ElementResiduesLengthSheet
β-strand408-41031
β-strand413-41531
α-helix419-43113
β-strand434-443102
α-helix444-4518
β-strand469-47242
α-helix475-4784
α-helix479-4813
β-strand48313
β-strand49513
β-strand496-50492
α-helix505-5106
β-strand511-51332
α-helix523-5319
α-helix5371
β-strand541-54552
α-helix5461
β-strand552-55652
α-helix558-5614
β-strand565-56842
α-helix571-5744
α-helix580-5834
α-helix584-5863
α-helix589-5924
α-helix598-6003
β-strand60112
α-helix604-6085
Chain B: 10 helices, 12 β-strands
ElementResiduesLengthSheet
β-strand40814
β-strand41514
α-helix419-43012
β-strand434-443105
α-helix444-45310
β-strand469-47136
β-strand47215
α-helix475-4784
β-strand496-50495
α-helix508-5103
β-strand511-51336
α-helix5171
α-helix521-53111
α-helix5371
β-strand541-54446
β-strand553-55646
α-helix558-5614
β-strand565-56845
β-strand57417
β-strand57717
α-helix584-5863
α-helix589-5946

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Exotoxin aA, Bprotein214Pseudomonas aeruginosaP11439 (AlphaFold model)
Sequence of entity 1 (A, B), FASTA
>1DMA_1 EXOTOXIN A (chains A, B)
FLGDGGDVSFSTRGTQNWTVERLLQAHRQLEERGYVFVGYHGTFLEAAQSIVFGGVRARS
QDLDAIWRGFYIAGDPALAYGYAQDQEPDARGRIRNGALLRVYVPRSSLPGFYRTSLTLA
APEAAGEVERLIGHPLPLRLDAITGPEEEGGRLETILGWPLAERTVVIPSAIPTDPRNVG
GDLDPSSIPDKEQAISALPDYASQPGKPPREDLK

Ligands and cofactors

IDNameFormulaCopies
AMPAdenosine monophosphateC10 H14 N5 O7 P1
NCANicotinamideC6 H6 N2 O2

Primary citation

The crystal structure of Pseudomonas aeruginosa exotoxin domain III with nicotinamide and AMP: conformational differences with the intact exotoxin. Li, M., Dyda, F., Benhar, I. et al. Proc Natl Acad Sci U S A (1995) 92:9308-9312. DOI 10.1073/pnas.92.20.9308 · PubMed

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

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