6GNN: Exoenzyme T from Pseudomonas aeruginosa

Name: PDB 6GNN: Exoenzyme T from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form bound to STO1101
Published: 2018-09-26
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: toxin

Exoenzyme T from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form bound to STO1101. Determined by X-ray diffraction at 3.79 Å resolution. Released 26 Sept 2018.

Method: X-ray diffraction
Resolution: 3.79 Å
Organisms: Homo sapiens, Pseudomonas aeruginosa PAO1
Chains: 2
Atoms: 3,322
Mol. weight: 55.55 kDa
Ligands: F4W
Released: 26 Sept 2018

Explore 6GNN in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6GNN contains 20 α-helices and 13 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: 10 helices, 0 β-strands

Element	Residues	Length
α-helix	7-17	11
α-helix	21-33	13
α-helix	40-67	28
α-helix	79-102	24
α-helix	103-107	5
α-helix	116-134	19
α-helix	138-160	23
α-helix	167-182	16
α-helix	187-202	16
α-helix	213-230	18

Chain C: 10 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	235-242	8
α-helix	247-250	4
α-helix	263-273	11
α-helix	278-284	7
α-helix	285-287	3
α-helix	288-290	3
α-helix	292-308	17
β-strand	315	1	1
β-strand	318-321	4	2
α-helix	331	1
β-strand	335-337	3	3
β-strand	342-343	2	4
β-strand	345	1	2
α-helix	348-351	4
β-strand	359-362	4	2
β-strand	365	1	1
β-strand	369-370	2	4
β-strand	383-385	3	4
β-strand	390-392	3	3
β-strand	395-396	2	2
β-strand	404-407	4	2
β-strand	410	1	3
α-helix	423-427	5

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
14-3-3 protein beta/alpha	A	protein	248	Homo sapiens	P31946 (AlphaFold model)
Exoenzyme T	C	protein	246	Pseudomonas aeruginosa PAO1	Q9I788 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6GNN_1 14-3-3 protein beta/alpha (chains A)
MTMDKSELVQKAKLAEQAERYDDMAAAMKAVTEQGHELSNEERNLLSVAYKNVVGARRSS
WRVISSIEQKTERNEKKQQMGKEYREKIEAELQDICNDVLELLDKYLIPNATQPESKVFY
LKMKGDYFRYLSEVASGDNKQTTVSNSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFY
YEILNSPEKACSLAKTAFDEAIAELDTLNEESYKDSTLIMQLLRDNLTLWTSENQGDEGE
NLYFQSLE

Sequence of entity 2 (C), FASTA

>6GNN_2 Exoenzyme T (chains C)
MGSSHHHHHHSQDPNSENLYFQGPVDKALADGLVEHFGLEAEQYLGEHPDGPYSDAEVMA
LGLYTNGEYQHLNRSLRQGRELDAGQALIDRGMSAAFEKSGPAEQVVKTFRGTQGRDAFE
AVKEGQVGHDAGYLSTSRDPSVARSFAGQGTITTLFGRSGIDVSEISIEGDEQEILYDKG
TDMRVLLSAKDGQGVTRRVLEEATLGERSGHGEGLLDALDLATGTDRSGKPQEQDLRLRM
RGLDLA

Ligands and cofactors

ID	Name	Formula	Copies
F4W	3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-…	C12 H12 N2 O3 S	1

Primary citation

14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface. Karlberg, T., Hornyak, P., Pinto, A.F. et al. Nat Commun (2018) 9:3785-3785. DOI 10.1038/s41467-018-06194-1 · PubMed

Other PDB entries of the same protein (UniProt P31946 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8EQ8 1.5 Å, The crystal structure of 14-3-3 Beta containing 3-nitrotyrosine at position Y130
5N10 1.6 Å, Cucurbit[8]uril and 14-3-3 based binary bivalent supramolecular-protein assembly platform
6HEP 1.86 Å, Crystal structure of human 14-3-3 beta in complex with CFTR R-domain peptide pS753-pS768
8EQH 1.9 Å, The crystal structure of 14-3-3 Beta containing 3-nitrotyrosine at position Y213
6A5Q 2.0 Å, Structure of 14-3-3 beta in complex with TFEB 14-3-3 binding motif
6YGJ 2.07 Å, small-molecule stabilizer of 14-3-3 and the Carbohydrate Response Element Binding…
4DNK 2.2 Å, Crystal structure of a tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation…
6GN8 2.34 Å, Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta,…
2BQ0 2.5 Å, 14-3-3 Protein Beta (Human)
6GNK 2.55 Å, Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta,…
9GCP 2.59 Å, ChREBP/14-3-3 complex stabilized by AMP
2C23 2.65 Å, 14-3-3 Protein Beta (Human) in complex with exoenzyme S peptide

Browse structure collections

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