Protein profile

KP13_02492

4-hydroxyphenylacetate degradation bifunctional isomerase/decarboxylase, HpaG1subunit

Genome: KpKP13

Gene: AHE46502.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GIN1
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Amino acids 210
Annotations 4
Features 9
PDB binders 3
Druggability 0.881

Overview

Basic information about this protein and its source genome.

Accession
KP13_02492
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE46502.1
Status
annotated
Amino acids
210
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:0046872 Binding to a metal ion.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
30.519
Human E-value
4.86e-16
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Cytoplasmic
ColabFold pLDDT
97.22

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 0.881
Structure A0A0H3GIN1
Pocket Pocket 1
P2Rank 0.033
Structure A0A0H3GIN1
Pocket Pocket 1
ColabFold model
FPocket 0.86 · Pocket 1
P2Rank 0.036 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 49 / 4744 genomes with a hit
Normalized 0.01

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: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:0046872 Binding to a metal ion.

Sequence Features

Domain/signature hits from InterPro and related databases.

9 records
Show feature table
Start End DB Term Name
2 204 SUPERFAMILY SSF56529 FAH
2 204 InterPro IPR036663 Fumarylacetoacetase-like, C-terminal domain superfamily
3 203 NCBIfam TIGR02305 4-hydroxyphenylacetate degradation bifunctional isomerase/decarboxylase, N-terminal subunit
3 203 InterPro IPR012686 4-hydroxyphenylacetate degradation bifunctional isomerase/decarboxylase, N-terminal subunit
1 209 Gene3D G3DSA:3.90.850.10 -
1 209 InterPro IPR036663 Fumarylacetoacetase-like, C-terminal domain superfamily
3 205 PANTHER PTHR11820 ACYLPYRUVASE
5 204 Pfam PF01557 Fumarylacetoacetate (FAA) hydrolase family
5 204 InterPro IPR011234 Fumarylacetoacetase-like, C-terminal

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

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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_A0A0H3GIN1
AlphaFold — — full sequence — Viewing
ColabFold KP13_02492
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
1 0.881

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 1.6 0.025

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.