Protein profile

KP13_00091

Phosphonoacetaldehyde hydrolase

Genome: KpKP13

Gene: AHE42016.1 phnX Structure source: AlphaFold + ColabFold UniProt A0A0H3GXM6
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Amino acids 269
Annotations 7
Features 19
PDB binders 4
Druggability 0.517

Overview

Basic information about this protein and its source genome.

Accession
KP13_00091
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE42016.1 phnX
Status
annotated
Amino acids
269
Structure source
AlphaFold + ColabFold
EC
3.11.1.1
GO
GO:0050194 Catalysis of the reaction: H2O + phosphonoacetaldehyde = acetaldehyde + H+ + phosphate. 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:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0000287 Binding to a magnesium (Mg) ion. GO:0008967 Catalysis of the reaction: 2-phosphoglycolate + H2O = glycolate + phosphate. GO:0006281 The process of restoring DNA after damage. Genomes are subject to damage by chemical and physical agents in the environment (e.g. UV and ionizing radiations, chemical mutagens, fungal and bacterial toxins, etc.) and by free radicals or alkylating agents endogenously generated in metabolism. DNA is also damaged because of errors during its replication. A variety of different DNA repair pathways have been reported that include direct reversal, base excision repair, nucleotide excision repair, photoreactivation, bypass, double-strand break repair pathway, and mismatch repair pathway.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Human identity (%)
0.0
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Cytoplasmic
ColabFold pLDDT
96.73

Selected Druggability evidence

AlphaFold / UniProt model

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 0.517
Structure A0A0H3GXM6
Pocket Pocket 2
P2Rank 0.271
Structure A0A0H3GXM6
Pocket Pocket 1
ColabFold model
FPocket 0.518 · Pocket 1
P2Rank 0.338 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 44 / 4744 genomes with a hit
Normalized 0.009

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

6
  • GO:0050194 Catalysis of the reaction: H2O + phosphonoacetaldehyde = acetaldehyde + H+ + phosphate.
  • 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:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0000287 Binding to a magnesium (Mg) ion.
  • GO:0008967 Catalysis of the reaction: 2-phosphoglycolate + H2O = glycolate + phosphate.
  • GO:0006281 The process of restoring DNA after damage. Genomes are subject to damage by chemical and physical agents in the environment (e.g. UV and ionizing radiations, chemical mutagens, fungal and bacterial toxins, etc.) and by free radicals or alkylating agents endogenously generated in metabolism. DNA is also damaged because of errors during its replication. A variety of different DNA repair pathways have been reported that include direct reversal, base excision repair, nucleotide excision repair, photoreactivation, bypass, double-strand break repair pathway, and mismatch repair pathway.

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records
Show feature table
Start End DB Term Name
1 269 Hamap MF_01375 Phosphonoacetaldehyde hydrolase [phnX].
1 269 InterPro IPR006323 Phosphonoacetaldehyde hydrolase
94 260 FunFam G3DSA:3.40.50.1000:FF:000072 Phosphonoacetaldehyde hydrolase
32 203 NCBIfam TIGR01509 HAD-IA family hydrolase
32 203 InterPro IPR006439 HAD hydrolase, subfamily IA
2 269 SFLD SFLDG01135 C1.5.6: HAD, Beta-PGM, Phosphatase Like
4 259 SUPERFAMILY SSF56784 HAD-like
4 259 InterPro IPR036412 HAD-like superfamily
4 247 CDD cd02586 HAD_PHN
4 247 InterPro IPR006323 Phosphonoacetaldehyde hydrolase
22 100 Gene3D G3DSA:1.10.150.240 Putative phosphatase; domain 2
22 100 InterPro IPR023198 Phosphoglycolate phosphatase-like, domain 2
2 269 SFLD SFLDF00038 phosphonoacetaldehyde hydrolase
3 257 NCBIfam TIGR01422 phosphonoacetaldehyde hydrolase
3 257 InterPro IPR006323 Phosphonoacetaldehyde hydrolase
22 100 FunFam G3DSA:1.10.150.240:FF:000006 Phosphonoacetaldehyde hydrolase
5 254 PANTHER PTHR43434 PHOSPHOGLYCOLATE PHOSPHATASE
6 266 Gene3D G3DSA:3.40.50.1000 -
6 266 InterPro IPR023214 HAD superfamily

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...

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Structural evidence

0 + 2

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

Entry Method Resolution Chain Coverage Links Status
AlphaFold AF_A0A0H3GXM6
AlphaFold — — full sequence — Viewing
ColabFold KP13_00091
ColabFold — — 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 0.517
4 0.008
6 0.001
7 0.001

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 6.42 0.271
2 1.69 0.024

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.

4 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
ESA
1RDF
O31156 110.1 Da LogP -0.11 TPSA 54.4 ✓ Ro5 ✓ Clean CCS(=O)(=O)O
POA
1SWW
O31156 124.0 Da LogP -0.64 TPSA 74.6 ✓ Ro5 ✓ Clean C(C=O)P(=O)(O)O
VSO
1RQL
O31156 108.1 Da LogP 0.02 TPSA 54.4 ✓ Ro5 ✓ Clean C=CS(=O)(=O)O
WO4
1FEZ
O31156 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.