Protein profile

PA1310

2-aminoethylphosphonate--pyruvate transaminase

Genome: NC_002516.2

Gene: phnW PA1310 Structure source: Experimental + AlphaFold UniProt Q9I434
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Amino acids 371
Annotations 4
Features 18
PDB binders 9
Druggability 0.532

Overview

Basic information about this protein and its source genome.

Accession
PA1310
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
phnW PA1310
Status
annotated
Amino acids
371
Structure source
Experimental + AlphaFold
EC
2.6.1.37
GO
GO:0047304 Catalysis of the reaction: (2-aminoethyl)phosphonate + pyruvate = L-alanine + phosphonoacetaldehyde. GO:0019700 The chemical reactions and pathways resulting in the breakdown of phosphonates, any organic compound containing one or more C-PO(OH)2 or C-PO(OR)2 (with R=alkyl, aryl) groups. Catabolism of phosphonic acid itself, an inorganic compound without the biochemically relevant C-P bond, is not included. GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
25.613
Human E-value
5.21e-15
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 0.532
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 3 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

3
  • GO:0047304 Catalysis of the reaction: (2-aminoethyl)phosphonate + pyruvate = L-alanine + phosphonoacetaldehyde.
  • GO:0019700 The chemical reactions and pathways resulting in the breakdown of phosphonates, any organic compound containing one or more C-PO(OH)2 or C-PO(OR)2 (with R=alkyl, aryl) groups. Catabolism of phosphonic acid itself, an inorganic compound without the biochemically relevant C-P bond, is not included.
  • GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records
Show feature table
Start End DB Term Name
19 262 Gene3D G3DSA:3.40.640.10 -
19 262 InterPro IPR015421 Pyridoxal phosphate-dependent transferase, major domain
1 370 PIRSF PIRSF000524 SPT
1 370 InterPro IPR024169 Serine-pyruvate aminotransferase/2-aminoethylphosphonate-pyruvate transaminase
5 364 NCBIfam TIGR02326 2-aminoethylphosphonate--pyruvate transaminase
5 364 InterPro IPR012703 2-aminoethylphosphonate--pyruvate transaminase
1 369 PANTHER PTHR42778 2-AMINOETHYLPHOSPHONATE--PYRUVATE TRANSAMINASE
52 304 Pfam PF00266 Aminotransferase class-V
52 304 InterPro IPR000192 Aminotransferase class V domain
8 367 SUPERFAMILY SSF53383 PLP-dependent transferases
8 367 InterPro IPR015424 Pyridoxal phosphate-dependent transferase
1 371 Hamap MF_01376 2-aminoethylphosphonate--pyruvate transaminase [phnW].
1 371 InterPro IPR012703 2-aminoethylphosphonate--pyruvate transaminase
11 354 Gene3D G3DSA:3.90.1150.10 Aspartate Aminotransferase, domain 1
11 354 InterPro IPR015422 Pyridoxal phosphate-dependent transferase, small domain
352 371 Coils Coil Coil
9 362 NCBIfam TIGR03301 2-aminoethylphosphonate aminotransferase
9 362 InterPro IPR012703 2-aminoethylphosphonate--pyruvate transaminase

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

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 7E7G
X-ray 2.35 Å A
100.0% 1-371
PDBe RCSB PDBj File
Viewing
AlphaFold PA1310
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
1 0.532
3 0.468

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 3.69 0.14
2 3.2 0.11
3 0.81 0.003

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.

78 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
AOA
1H0C
P21549 91.1 Da LogP -1.04 TPSA 72.5 ✓ Ro5 ✓ Clean C(C(=O)O)ON
BTB
2YOB
P21549 209.2 Da LogP -3.01 TPSA 104.4 ✓ Ro5 ✓ Clean C(CO)N(CCO)C(CO)(CO)CO
MMM
2YRI
Q5SLX0 348.2 Da LogP -0.04 TPSA 169.8 ✓ Ro5 ✓ Clean Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@](C)(CO)C(=O)…
PLR
5HHY
P21549 233.2 Da LogP 1.01 TPSA 99.9 ✓ Ro5 ✓ Clean Cc1c(cnc(c1O)C)COP(=O)(O)O
PMP
3ZRQ
Q97VM5 248.2 Da LogP 0.16 TPSA 125.9 ✓ Ro5 ✓ Clean Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
POA
1M32
P96060 124.0 Da LogP -0.64 TPSA 74.6 ✓ Ro5 ✓ Clean C(C=O)P(=O)(O)O
PXG
3ZRR
Q97VM5 368.3 Da LogP 2.02 TPSA 149.2 ✓ Ro5 ✓ Clean Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O
PXL
2Z9W
Q988B8 167.2 Da LogP 0.40 TPSA 70.4 ✓ Ro5 ✓ Clean Cc1c(c(c(cn1)CO)C=O)O
PXM
2Z9V
Q988B8 168.2 Da LogP 0.05 TPSA 79.4 ✓ Ro5 ✓ Clean Cc1c(c(c(cn1)CO)CN)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.