Protein profile

PA2343

xylulose kinase

Genome: NC_002516.2

Gene: xylB PA2343 mtlY Structure source: AlphaFold UniProt Q9I1D5
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Amino acids 502
Annotations 9
Features 21
PDB binders 6
Druggability 0.764

Overview

Basic information about this protein and its source genome.

Accession
PA2343
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
xylB PA2343 mtlY
Status
annotated
Amino acids
502
Structure source
AlphaFold
EC
2.7.1.17
GO
GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0004856 Catalysis of the reaction: D-xylulose + ATP = D-xylulose 5-phosphate + ADP + H+. GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule. GO:0042732 The chemical reactions and pathways involving D-xylose, a naturally occurring plant polysaccharide. GO:0005998 The chemical reactions and pathways resulting in the breakdown of xylulose, the ketopentose threo-2-pentulose. GO:0016773 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to an alcohol group (acceptor).

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
25.0
Human E-value
2.91e-17
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 0.764
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 8 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

8
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
  • GO:0004856 Catalysis of the reaction: D-xylulose + ATP = D-xylulose 5-phosphate + ADP + H+.
  • GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.
  • GO:0042732 The chemical reactions and pathways involving D-xylose, a naturally occurring plant polysaccharide.
  • GO:0005998 The chemical reactions and pathways resulting in the breakdown of xylulose, the ketopentose threo-2-pentulose.
  • GO:0016773 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to an alcohol group (acceptor).
  • GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
  • GO:0005997 The chemical reactions and pathways involving xylulose, the ketopentose threo-2-pentulose.

Sequence Features

Domain/signature hits from InterPro and related databases.

21 records
Show feature table
Start End DB Term Name
11 261 SUPERFAMILY SSF53067 Actin-like ATPase domain
11 261 InterPro IPR043129 ATPase, nucleotide binding domain
269 451 Pfam PF02782 FGGY family of carbohydrate kinases, C-terminal domain
269 451 InterPro IPR018485 Carbohydrate kinase, FGGY, C-terminal
10 496 Hamap MF_02220 Xylulose kinase [xylB].
10 496 InterPro IPR006000 Xylulokinase
363 384 ProSitePatterns PS00445 FGGY family of carbohydrate kinases signature 2.
363 384 InterPro IPR018483 Carbohydrate kinase, FGGY, conserved site
8 497 PANTHER PTHR43095 SUGAR KINASE
8 501 PIRSF PIRSF000538 GlpK
8 501 InterPro IPR000577 Carbohydrate kinase, FGGY
11 259 Pfam PF00370 FGGY family of carbohydrate kinases, N-terminal domain
11 259 InterPro IPR018484 Carbohydrate kinase, FGGY, N-terminal
12 498 NCBIfam TIGR01312 xylulokinase
12 498 InterPro IPR006000 Xylulokinase
7 259 Gene3D G3DSA:3.30.420.40 -
35 55 MobiDBLite mobidb-lite consensus disorder prediction
262 499 Gene3D G3DSA:3.30.420.40 -
10 496 CDD cd07809 FGGY_D-XK_1
261 498 SUPERFAMILY SSF53067 Actin-like ATPase domain
261 498 InterPro IPR043129 ATPase, nucleotide binding domain

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 PA2343
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 0.764
5 0.209

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.

56 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
ANP
6K76
O93623 506.2 Da LogP -2.06 TPSA 281.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
DXP
3LL3
Q5FM28 214.1 Da LogP -1.59 TPSA 124.3 ✓ Ro5 ✓ Clean CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O
MLI
3HZ6
Q7NWW7 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=O)[O-]
NH4
2ITM
P09099 18.0 Da LogP 0.38 TPSA 36.5 ✓ Ro5 ✓ Clean [NH4+]
QDK
3QDK
Q9KBQ3 150.1 Da LogP -2.74 TPSA 98.0 ✓ Ro5 ✓ Clean C([C@@H]([C@@H](C(=O)CO)O)O)O
XUL
2ITM
P09099 150.1 Da LogP -2.74 TPSA 98.0 ✓ Ro5 ✓ Clean C([C@H]([C@@H](C(=O)CO)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.