Protein target profile

PA4640

malate:quinone oxidoreductase

Genome: NC_002516.2

Gene: mqoB PA4640 mqo2 3D evidence: AlphaFold DB model UniProt Q9HVF1

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Length 507

Pocket druggability 0.71

EC / GO 1 / 3

Target summary

Target candidate with partial support; inspect missing evidence before prioritizing.

4 signals

Strengths

Risks / watch

No major risk signal surfaced in the loaded evidence.

Missing evidence

No metabolic context No SBML/network-derived reaction evidence is loaded for this protein. No ligand evidence No experimental PDB ligands, measured ChEMBL bioactivity, or proposed ZINC compound records are available.

How to read this page

PDB: experimentally determined structures from the Protein Data Bank. These are the strongest structural evidence, but may cover only part of the protein.

AlphaFold DB model: a precomputed predicted structure downloaded from AlphaFold Database/UniProt, not an experiment performed here.

ColabFold model: a predicted structure generated for this workspace; interpret it with coverage and confidence.

pLDDT: confidence score for predicted structures. High values support local geometry; low values mean the region should not drive pocket interpretation.

FPocket / P2Rank: software tools that predict possible ligand-binding pockets on a 3D structure. They are useful screening signals, not experimental validation.

Druggability: a pocket-based estimate of whether a small molecule could bind productively. It does not mean a drug already exists.

PDB ligand: a compound observed in an experimental structure. Direct same-protein records are stronger than homolog-transferred records.

ChEMBL: a public database of measured compound bioactivity. Direct entries are stronger than entries transferred from similar proteins.

ZINC: a purchasable-compound database. Here it marks proposed candidates from chemical similarity, not measured binders.

LigQ / LigQ_2: an internal TPW pipeline step that gathers PDB, ChEMBL, and ZINC ligand evidence for each protein.

Off-target: sequence similarity to proteins we prefer not to hit, such as human proteins or beneficial gut microbiome proteins.

DEG: Database of Essential Genes. A match suggests the protein resembles genes known to be essential in other organisms.

Roary / CoreCruncher: pan-genome tools used to decide whether a gene is core across analyzed strains or accessory/strain-specific.

EC / GO: functional annotations: EC describes enzyme reactions; GO describes biological process, molecular function, or cellular component.

KEGG pathway: a curated metabolic route label used here to group reactions imported from the metabolic model.

Chokepoint: a metabolic reaction that is the only producer or consumer of a metabolite in the imported model.

Overview

Basic information about this protein and its source genome.

Accession: PA4640
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: mqoB PA4640 mqo2
Status: annotated
Amino acids: 507
3D evidence: AlphaFold DB model

1.1.5.4

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0008924 Catalysis of the reaction: (S)-malate + a quinone = oxaloacetate + a quinol. Vitamin K (menaquinone) and several other quinones can act as acceptors. GO:0006099 A nearly universal metabolic pathway in which the acetyl group of acetyl coenzyme A is effectively oxidized to two CO2 and four pairs of electrons are transferred to coenzymes. The acetyl group combines with oxaloacetate to form citrate, which undergoes successive transformations to isocitrate, 2-oxoglutarate, succinyl-CoA, succinate, fumarate, malate, and oxaloacetate again, thus completing the cycle. In eukaryotes the tricarboxylic acid is confined to the mitochondria. See also glyoxylate cycle.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Cytoplasmic

Selected pocket evidence

The selected pocket score is the FPocket value used for ranking after applying the curated structure priority. It estimates small-molecule pocket quality; it is not experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.

FPocket 0.71

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MAQNDHETVDMLLVGAGIMSATLAVLLKELDPNLKMEVVELQESGAIESSNPWNNAGTGHAGLCELNYTPQSADGSIDIKKAVGINTMFEVSKQFWSHLVAKGTFGSPKTFINPVPHLSFVRGSEGIAYLKKRFESLTKHHAFETMVYSEDKATLAEWMPLMMPGRPADEAIAATRVEGGTDVNFGALTNQLLQHLAQQPGAQIRYNQKVTHLRRADNGWRVTVKDTRNGGDREIQARFVFLGAGGGALPLLQLSGIPEGKGFGGFPVSGQWLRCDNPEIVKQHQAKVYSQAEVGSPPMSVPHLDTRVVDGKKSLLFGPYAGFSTKFLRHGSFLDLPLSVRPGNILPMLSVARDNMDLTRYLIGQVMQSPEQRLEALRKFYPEARAEDWRLEVAGQRVQIIKKDPKKGGILQFGTELVAAHDGSIAALLGASPGASVTVSIMLGLIERCFPEQARSPEWSAKLKEIFPAREKELESDAELYRSVSSRCSEVLELTAKNDVQAPVNAE

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 3 GO

Enzyme Commission (EC)

1.1.5.4

Gene Ontology (GO)

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0008924 Catalysis of the reaction: (S)-malate + a quinone = oxaloacetate + a quinol. Vitamin K (menaquinone) and several other quinones can act as acceptors.
GO:0006099 A nearly universal metabolic pathway in which the acetyl group of acetyl coenzyme A is effectively oxidized to two CO2 and four pairs of electrons are transferred to coenzymes. The acetyl group combines with oxaloacetate to form citrate, which undergoes successive transformations to isocitrate, 2-oxoglutarate, succinyl-CoA, succinate, fumarate, malate, and oxaloacetate again, thus completing the cycle. In eukaryotes the tricarboxylic acid is confined to the mitochondria. See also glyoxylate cycle.

Sequence Features

Domain/signature hits from InterPro and related databases.

12 records

Show feature table

Start	End	DB	Term	Name
8	494	Pfam	PF06039	Malate:quinone oxidoreductase (Mqo)
8	494	InterPro	IPR006231	Malate:quinone-oxidoreductase
9	492	NCBIfam	TIGR01320	malate dehydrogenase (quinone)
9	492	InterPro	IPR006231	Malate:quinone-oxidoreductase
114	311	Gene3D	G3DSA:3.30.9.10	-
3	442	PANTHER	PTHR43104	L-2-HYDROXYGLUTARATE DEHYDROGENASE, MITOCHONDRIAL
10	264	Gene3D	G3DSA:3.50.50.60	-
10	264	InterPro	IPR036188	FAD/NAD(P)-binding domain superfamily
8	275	SUPERFAMILY	SSF51905	FAD/NAD(P)-binding domain
8	275	InterPro	IPR036188	FAD/NAD(P)-binding domain superfamily
5	494	Hamap	MF_00212	Probable malate:quinone oxidoreductase [mqo].
5	494	InterPro	IPR006231	Malate:quinone-oxidoreductase

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; AlphaFold DB and ColabFold models typically cover the full protein but remain computational predictions.

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Structural evidence

0 + 1

Experimental PDB entries plus predicted AlphaFold DB or ColabFold models. Click Switch to display a different loaded structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold DB PA4640	AlphaFold DB	—	—	full sequence	—	Viewing

Pocket details Inspect a specific pocket, or open the full viewer

Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #2

0.71

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Site 2 FPocket #1

0.212

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