Protein profile

KP13_02493

4-hydroxyphenylacetate degradation bifunctional isomerase/decarboxylase

Genome: KpKP13

Gene: AHE46503.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GMS4
Export view
Amino acids 254
Annotations 5
Features 10
PDB binders 3
Druggability 0.852

Overview

Basic information about this protein and its source genome.

Accession
KP13_02493
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE46503.1
Status
annotated
Amino acids
254
Structure source
AlphaFold + ColabFold
GO
GO:0018800 Catalysis of the reaction: 5-oxopent-3-ene-1,2,5-tricarboxylate = 2-oxohept-3-enedioate + CO2. GO:0008704 Catalysis of the reaction: 5-carboxymethyl-2-hydroxymuconate = 5-carboxy-2-oxohept-3-enedioate. 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. GO:1901023 The chemical reactions and pathways resulting in the breakdown of 4-hydroxyphenylacetate. GO:0046872 Binding to a metal ion.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
41.237
Human E-value
6.92e-45
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Cytoplasmic
ColabFold pLDDT
94.53

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 0.852
Structure A0A0H3GMS4
Pocket Pocket 2
P2Rank 0.471
Structure A0A0H3GMS4
Pocket Pocket 1
ColabFold model
FPocket 0.488 · Pocket 2
P2Rank 0.564 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 63 / 4744 genomes with a hit
Normalized 0.013

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5
  • GO:0018800 Catalysis of the reaction: 5-oxopent-3-ene-1,2,5-tricarboxylate = 2-oxohept-3-enedioate + CO2.
  • GO:0008704 Catalysis of the reaction: 5-carboxymethyl-2-hydroxymuconate = 5-carboxy-2-oxohept-3-enedioate.
  • 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.
  • GO:1901023 The chemical reactions and pathways resulting in the breakdown of 4-hydroxyphenylacetate.
  • GO:0046872 Binding to a metal ion.

Sequence Features

Domain/signature hits from InterPro and related databases.

10 records
Show feature table
Start End DB Term Name
36 249 Gene3D G3DSA:3.90.850.10 -
36 249 InterPro IPR036663 Fumarylacetoacetase-like, C-terminal domain superfamily
46 243 Pfam PF01557 Fumarylacetoacetate (FAA) hydrolase family
46 243 InterPro IPR011234 Fumarylacetoacetase-like, C-terminal
39 245 PANTHER PTHR11820 ACYLPYRUVASE
2 245 NCBIfam TIGR02303 4-hydroxyphenylacetate degradation bifunctional isomerase/decarboxylase, C-terminal subunit
2 245 InterPro IPR012684 4-hydroxyphenylacetate degradation bifunctional isomerase/decarboxylase, C-terminal subunit
40 249 FunFam G3DSA:3.90.850.10:FF:000008 FAA hydrolase family protein
37 244 SUPERFAMILY SSF56529 FAH
37 244 InterPro IPR036663 Fumarylacetoacetase-like, C-terminal domain 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...

Legend High Medium Low

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_A0A0H3GMS4
AlphaFold — — full sequence — Viewing
ColabFold KP13_02493
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 0.852

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 6.01 0.296
2 0.92 0.004

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
OXL
6FOG
Q6P587-1 88.0 Da LogP -3.51 TPSA 80.3 ✓ Ro5 ✓ Clean C(=O)(C(=O)[O-])[O-]
PYR
6J5X
Q8NLC0 88.1 Da LogP -0.34 TPSA 54.4 ✓ Ro5 ✓ Clean CC(=O)C(=O)O
TAR
3V77
D2YW46 150.1 Da LogP -2.12 TPSA 115.1 ✓ Ro5 ✓ Clean [C@H]([C@@H](C(=O)O)O)(C(=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.