Protein profile

PA0223

dihydrodipicolinate synthetase

Genome: NC_002516.2

Gene: PA0223 Structure source: Experimental + AlphaFold UniProt Q9I6R5
Export view
Amino acids 293
Annotations 4
Features 20
PDB binders 7
Druggability 0.849

Overview

Basic information about this protein and its source genome.

Accession
PA0223
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA0223
Status
annotated
Amino acids
293
Structure source
Experimental + AlphaFold
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:0008840 Catalysis of the reaction: L-aspartate 4-semialdehyde + pyruvate = (2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinate + H2O + H+. GO:0046872 Binding to a metal ion. GO:0016829 Catalysis of the cleavage of C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation, or conversely adding a group to a double bond. They differ from other enzymes in that two substrates are involved in one reaction direction, but only one in the other direction. When acting on the single substrate, a molecule is eliminated and this generates either a new double bond or a new ring.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
25.979
Human E-value
3.07e-16
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 0.849
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

4
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0008840 Catalysis of the reaction: L-aspartate 4-semialdehyde + pyruvate = (2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinate + H2O + H+.
  • GO:0046872 Binding to a metal ion.
  • GO:0016829 Catalysis of the cleavage of C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation, or conversely adding a group to a double bond. They differ from other enzymes in that two substrates are involved in one reaction direction, but only one in the other direction. When acting on the single substrate, a molecule is eliminated and this generates either a new double bond or a new ring.

Sequence Features

Domain/signature hits from InterPro and related databases.

20 records
Show feature table
Start End DB Term Name
38 59 PRINTS PR00146 Dihydrodipicolinate synthase signature
38 59 InterPro IPR002220 DapA-like
74 92 PRINTS PR00146 Dihydrodipicolinate synthase signature
74 92 InterPro IPR002220 DapA-like
106 122 PRINTS PR00146 Dihydrodipicolinate synthase signature
106 122 InterPro IPR002220 DapA-like
131 148 PRINTS PR00146 Dihydrodipicolinate synthase signature
131 148 InterPro IPR002220 DapA-like
6 290 Pfam PF00701 Dihydrodipicolinate synthetase family
6 290 InterPro IPR002220 DapA-like
4 284 PANTHER PTHR12128 DIHYDRODIPICOLINATE SYNTHASE
4 284 InterPro IPR002220 DapA-like
8 289 CDD cd00408 DHDPS-like
3 293 Gene3D G3DSA:3.20.20.70 Aldolase class I
3 293 InterPro IPR013785 Aldolase-type TIM barrel
4 293 SMART SM01130 DHDPS_2
4 293 InterPro IPR002220 DapA-like
3 292 SUPERFAMILY SSF51569 Aldolase
1 293 PIRSF PIRSF001365 DHDPS
1 293 InterPro IPR002220 DapA-like

3D Structure

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

3D visualization script Full viewer

Loading 3D structure...

Legend High Medium Low

Structural evidence

1 + 1

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

Entry Method Resolution Chain Coverage Links Status
PDB 3NA8
X-ray 1.85 Å A,B,C,D
100.0% 1-293
PDBe RCSB PDBj File
Viewing
AlphaFold PA0223
AlphaFold — — full sequence — Loaded
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 0.849
1 0.528

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK Sticks Spheres Surfaces Score Probability Labels Zoom Positions
1 28.62 0.926
2 0.78 0.002

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.

55 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

Show only:
Ligand Source crystal MW · LogP · TPSA Lipinski PAINS SMILES
MLT
3NA8 1.85 Å Open crystal
134.1 Da LogP -1.09 TPSA 94.8 ✓ Ro5 ✓ Clean C([C@H](C(=O)O)O)C(=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.