Protein profile

PA0244

shikimate 5-dehydrogenase

Genome: NC_002516.2

Gene: aroE PA0244 Structure source: AlphaFold UniProt Q9I6P4
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Amino acids 284
Annotations 8
Features 19
PDB binders 3
Druggability 0.872

Overview

Basic information about this protein and its source genome.

Accession
PA0244
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
aroE PA0244
Status
annotated
Amino acids
284
Structure source
AlphaFold
EC
1.1.1.25
GO
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0050661 Binding to nicotinamide-adenine dinucleotide phosphate, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NADP+, or the reduced form, NADPH. GO:0004764 Catalysis of the reaction: shikimate + NADP+ = 3-dehydroshikimate + NADPH + H+. GO:0008652 The chemical reactions and pathways resulting in the formation of amino acids, organic acids containing one or more amino substituents. GO:0009073 The chemical reactions and pathways resulting in the formation of aromatic amino acid family, amino acids with aromatic ring (phenylalanine, tyrosine, tryptophan). GO:0009423 The chemical reactions and pathways resulting in the formation of the unsymmetrical ether derived from phosphoenolpyruvate and 5-phosphoshikimic acid formed as an intermediate in the biosynthesis of aromatic amino acids and many other compounds.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
Cytoplasmic

Selected Druggability evidence

Selected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.

FPocket 0.872
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 7 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

7
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0050661 Binding to nicotinamide-adenine dinucleotide phosphate, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NADP+, or the reduced form, NADPH.
  • GO:0004764 Catalysis of the reaction: shikimate + NADP+ = 3-dehydroshikimate + NADPH + H+.
  • GO:0008652 The chemical reactions and pathways resulting in the formation of amino acids, organic acids containing one or more amino substituents.
  • GO:0009073 The chemical reactions and pathways resulting in the formation of aromatic amino acid family, amino acids with aromatic ring (phenylalanine, tyrosine, tryptophan).
  • GO:0009423 The chemical reactions and pathways resulting in the formation of the unsymmetrical ether derived from phosphoenolpyruvate and 5-phosphoshikimic acid formed as an intermediate in the biosynthesis of aromatic amino acids and many other compounds.
  • GO:0019632 The chemical reactions and pathways involving shikimate, (3R,4S,5R)--3,4,5-trihydroxycyclohex-1-ene-1-carboxylate, the anion of shikimic acid. It is an important intermediate in the biosynthesis of aromatic amino acids.

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records
Show feature table
Start End DB Term Name
1 5 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
6 281 Hamap MF_00222 Shikimate dehydrogenase (NADP(+)) [aroE].
6 281 InterPro IPR022893 Shikimate dehydrogenase family
6 110 SUPERFAMILY SSF53223 Aminoacid dehydrogenase-like, N-terminal domain
6 110 InterPro IPR046346 Aminoacid dehydrogenase-like, N-terminal domain superfamily
111 251 Gene3D G3DSA:3.40.50.720 -
8 271 PANTHER PTHR21089 SHIKIMATE DEHYDROGENASE
8 271 InterPro IPR022893 Shikimate dehydrogenase family
11 98 Pfam PF08501 Shikimate dehydrogenase substrate binding domain
11 98 InterPro IPR013708 Shikimate dehydrogenase substrate binding, N-terminal
1 18 Phobius SIGNAL_PEPTIDE Signal peptide region
14 18 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
110 267 CDD cd01065 NAD_bind_Shikimate_DH
111 251 FunFam G3DSA:3.40.50.720:FF:000086 Quinate/shikimate dehydrogenase
111 279 SUPERFAMILY SSF51735 NAD(P)-binding Rossmann-fold domains
111 279 InterPro IPR036291 NAD(P)-binding domain superfamily
6 13 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
11 270 Gene3D G3DSA:3.40.50.10860 Leucine Dehydrogenase, chain A, domain 1
19 284 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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Structural evidence

0 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
AlphaFold PA0244
AlphaFold — — full sequence — Viewing
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET Sticks Spheres Surfaces Druggability Labels Zoom Positions
1 0.872
6 0.255

Ligand evidence

Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.

53 records

Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
ATR
2HK9
O67049 507.2 Da LogP -1.63 TPSA 279.1 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
QIC
3JYP
Q9X5C9 192.2 Da LogP -2.32 TPSA 118.2 ✓ Ro5 ✓ Clean C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O
SKM
2HK9
O67049 174.2 Da LogP -1.52 TPSA 98.0 ✓ Ro5 ✓ Clean C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O

PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.