Protein profile

PA4458

hypothetical protein

Genome: NC_002516.2

Gene: PA4458 Structure source: AlphaFold UniProt Q9HVV9
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Amino acids 179
Annotations 5
Features 14
PDB binders 1
Druggability 0.522

Overview

Basic information about this protein and its source genome.

Accession
PA4458
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA4458
Status
annotated
Amino acids
179
Structure source
AlphaFold
EC
3.1.3.45
GO
GO:0019143 Catalysis of the reaction: 8-phospho-3-deoxy-D-manno-oct-2-ulosonate + H2O = 3-deoxy-D-manno-octulosonate + phosphate. GO:0046872 Binding to a metal ion. GO:0009103 The chemical reactions and pathways resulting in the formation of lipopolysaccharides, any of a group of related, structurally complex components of the outer membrane of Gram-negative bacteria. GO:0016788 Catalysis of the hydrolysis of any ester bond.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
34.228
Human E-value
2.72e-20
Gut microbiome off-target
hit
Essential (DEG)
Y
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 0.522
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

4
  • GO:0019143 Catalysis of the reaction: 8-phospho-3-deoxy-D-manno-oct-2-ulosonate + H2O = 3-deoxy-D-manno-octulosonate + phosphate.
  • GO:0046872 Binding to a metal ion.
  • GO:0009103 The chemical reactions and pathways resulting in the formation of lipopolysaccharides, any of a group of related, structurally complex components of the outer membrane of Gram-negative bacteria.
  • GO:0016788 Catalysis of the hydrolysis of any ester bond.

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records
Show feature table
Start End DB Term Name
9 179 SFLD SFLDF00036 deoxy-d-mannose-octulosonate 8-phosphate phosphatase
17 162 CDD cd01630 HAD_KDO-like
4 179 PIRSF PIRSF006118 KDO8-P_Ptase
4 179 InterPro IPR010023 KdsC family
16 170 PANTHER PTHR21485 HAD SUPERFAMILY MEMBERS CMAS AND KDSC
17 169 NCBIfam TIGR01670 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, YrbI family
17 169 InterPro IPR010023 KdsC family
13 172 SUPERFAMILY SSF56784 HAD-like
13 172 InterPro IPR036412 HAD-like superfamily
2 179 Gene3D G3DSA:3.40.50.1000 -
2 179 InterPro IPR023214 HAD superfamily
9 179 SFLD SFLDG01136 C1.6: Phosphoserine Phosphatase Like
1 179 FunFam G3DSA:3.40.50.1000:FF:000029 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase KdsC
92 155 Pfam PF08282 haloacid dehalogenase-like hydrolase

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 PA4458
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
2 0.522
1 0.208

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.

18 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
WO4
3E84
Q8A712 247.8 Da LogP -2.62 TPSA 80.3 ✓ Ro5 ✓ Clean [O-][W](=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.