Protein profile

KP13_04607

4-hydroxy-2-oxovalerate aldolase

Genome: KpKP13

Gene: mhpE AHE44133.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GU24
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Amino acids 338
Annotations 9
Features 19
PDB binders 5
Druggability 0.032

Overview

Basic information about this protein and its source genome.

Accession
KP13_04607
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
mhpE AHE44133.1
Status
annotated
Amino acids
338
Structure source
AlphaFold + ColabFold
EC
4.1.3.39
GO
GO:0019439 OBSOLETE. The chemical reactions and pathways resulting in the breakdown of aromatic compounds, any substance containing an aromatic carbon ring. GO:0016833 Catalysis of the cleavage of a C-C bond by other means than by hydrolysis or oxidation, of a 3-hydroxy acid. 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:0008701 Catalysis of the reaction: 4-hydroxy-2-oxopentanoate = acetaldehyde + pyruvate. GO:0003852 Catalysis of the reaction: 3-methyl-2-oxobutanoate + acetyl-CoA + H2O = (2S)-2-isopropylmalate + CoA + H+. GO:0030145 Binding to a manganese ion (Mn).

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
26.515
Human E-value
5.31e-07
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Cytoplasmic
ColabFold pLDDT
98.05

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 0.032
Structure A0A0H3GU24
Pocket Pocket 2
P2Rank 0.6
Structure A0A0H3GU24
Pocket Pocket 1
ColabFold model
FPocket 0.684 · Pocket 21
P2Rank 0.343 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 50 / 4744 genomes with a hit
Normalized 0.011

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 8 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

8
  • GO:0019439 OBSOLETE. The chemical reactions and pathways resulting in the breakdown of aromatic compounds, any substance containing an aromatic carbon ring.
  • GO:0016833 Catalysis of the cleavage of a C-C bond by other means than by hydrolysis or oxidation, of a 3-hydroxy acid.
  • 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:0008701 Catalysis of the reaction: 4-hydroxy-2-oxopentanoate = acetaldehyde + pyruvate.
  • GO:0003852 Catalysis of the reaction: 3-methyl-2-oxobutanoate + acetyl-CoA + H2O = (2S)-2-isopropylmalate + CoA + H+.
  • GO:0030145 Binding to a manganese ion (Mn).
  • GO:0019380 The chemical reactions and pathways resulting in the breakdown of 3-phenylpropionate, the anion of phenylpropanoic acid.
  • GO:0009098 The chemical reactions and pathways resulting in the formation of L-leucine, 2-amino-4-methylpentanoic acid.

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records
Show feature table
Start End DB Term Name
4 255 PANTHER PTHR10277 HOMOCITRATE SYNTHASE-RELATED
6 258 ProSiteProfiles PS50991 Pyruvate carboxyltransferase domain.
6 258 InterPro IPR000891 Pyruvate carboxyltransferase
4 336 NCBIfam TIGR03217 4-hydroxy-2-oxovalerate aldolase
4 336 InterPro IPR017629 4-hydroxy-2-oxovalerate aldolase
275 337 FunFam G3DSA:1.10.8.60:FF:000042 4-hydroxy-2-oxovalerate aldolase
3 276 SUPERFAMILY SSF51569 Aldolase
2 268 Gene3D G3DSA:3.20.20.70 Aldolase class I
2 268 InterPro IPR013785 Aldolase-type TIM barrel
6 269 CDD cd07943 DRE_TIM_HOA
6 269 InterPro IPR035685 4-hydroxy-2-oxovalerate aldolase, N-terminal catalytic TIM barrel domain
1 338 Hamap MF_01656 4-hydroxy-2-oxovalerate aldolase [mhpE].
1 338 InterPro IPR017629 4-hydroxy-2-oxovalerate aldolase
275 338 Gene3D G3DSA:1.10.8.60 -
288 336 SUPERFAMILY SSF89000 post-HMGL domain-like
6 262 Pfam PF00682 HMGL-like
6 262 InterPro IPR000891 Pyruvate carboxyltransferase
274 333 Pfam PF07836 DmpG-like communication domain
274 333 InterPro IPR012425 DmpG-like communication

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_A0A0H3GU24
AlphaFold — — full sequence — Viewing
ColabFold KP13_04607
ColabFold — — full sequence — Loaded
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

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 8.59 0.459
2 5.81 0.284
3 3.46 0.126
4 1.88 0.038

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.

51 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
FOR
4LRS
D1A3K8 30.0 Da LogP -0.18 TPSA 17.1 ✓ Ro5 ✓ Clean C=O
KMT
6E1J
C5J4P1 148.2 Da LogP 0.39 TPSA 54.4 ✓ Ro5 ✓ Clean CSCCC(=O)C(=O)O
MLI
3BLE
Q8F3Q1 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=O)[O-]
OXL
1NVM
P51016 88.0 Da LogP -3.51 TPSA 80.3 ✓ Ro5 ✓ Clean C(=O)(C(=O)[O-])[O-]
PYR
4LRS
D1A3K8 88.1 Da LogP -0.34 TPSA 54.4 ✓ Ro5 ✓ Clean CC(=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.