Protein profile

PA2589

hypothetical protein

Genome: NC_002516.2

Gene: PA2589 Structure source: AlphaFold UniProt Q9I0P8

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Amino acids 404

Annotations 3

Features 49

PDB binders 4

Druggability 0.858

Overview

Basic information about this protein and its source genome.

Accession: PA2589
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2589
Status: annotated
Amino acids: 404
Structure source: AlphaFold

GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other. GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.

Target profile

Computed evidence for target prioritization.

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

Selected Druggability evidence

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 0.858

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other.
GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.

Sequence Features

Domain/signature hits from InterPro and related databases.

49 records

Show feature table

Start	End	DB	Term	Name
69	79	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
257	279	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
10	201	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
10	201	InterPro	IPR036259	MFS transporter superfamily
17	402	SUPERFAMILY	SSF103473	MFS general substrate transporter
17	402	InterPro	IPR036259	MFS transporter superfamily
220	242	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
400	404	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
380	399	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
81	103	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
369	379	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
50	72	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
12	37	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
220	240	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
286	305	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
310	329	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
260	280	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
189	219	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
49	68	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
13	402	ProSiteProfiles	PS50850	Major facilitator superfamily (MFS) profile.
13	402	InterPro	IPR020846	Major facilitator superfamily domain
134	155	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
156	166	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
167	188	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
305	309	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
14	393	PANTHER	PTHR11360	MONOCARBOXYLATE TRANSPORTER
100	104	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
38	48	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
334	344	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
1	11	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
287	304	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
216	402	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
216	402	InterPro	IPR036259	MFS transporter superfamily
134	156	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
13	35	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
28	362	Pfam	PF07690	Major Facilitator Superfamily
28	362	InterPro	IPR011701	Major facilitator superfamily
166	188	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
310	333	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
123	133	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
107	129	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
342	364	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
241	259	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
105	122	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
345	368	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
80	99	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
374	396	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
12	397	CDD	cd17355	MFS_YcxA_like
281	286	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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Structural evidence

0 + 1

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold PA2589	AlphaFold	—	—	full sequence	—	Viewing

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				0.858
7				0.311

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.

54 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

No PDB structure with a co-crystallized ligand found for this exact protein.

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.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
02Q	6ZGU	A0LNN5	164.2 Da LogP 2.01 TPSA 37.3	✓ Ro5	✓ Clean	`Cc1ccccc1CCC(=O)O`
1HN	6ZGR	A0LNN5	188.2 Da LogP 2.24 TPSA 57.5	✓ Ro5	✓ Clean	`c1ccc2c(c1)ccc(c2O)C(=O)O`
FIV	6ZGT	A0LNN5	172.2 Da LogP 2.54 TPSA 37.3	✓ Ro5	✓ Clean	`c1ccc2cc(ccc2c1)C(=O)O`
HCI	6ZGS	A0LNN5	150.2 Da LogP 1.70 TPSA 37.3	✓ Ro5	✓ Clean	`c1ccc(cc1)CCC(=O)O`

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL bioactivity data found for this exact protein.

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL hits found through similar proteins.

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC164010	0.870	222.2 Da LogP 3.69 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2cc3ccccc3cc2c1`
ZINC156288	0.810	216.2 Da LogP 2.24 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc2cc(C(=O)O)ccc2c1`
ZINC406914	0.800	222.2 Da LogP 1.72 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(CCC(=O)O)cc1`
ZINC2528279	0.773	216.2 Da LogP 2.24 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccc(C(=O)O)cc2c1`
ZINC406170	0.767	292.3 Da LogP 3.47 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1C(=O)c1ccc2ccccc2c1O`
ZINC9998612	0.750	226.3 Da LogP 3.37 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(-c2ccccc2)cc1`
ZINC2163727	0.739	222.2 Da LogP 1.72 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCc1cccc(CCC(=O)O)c1`
ZINC2599161	0.739	266.3 Da LogP 3.39 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc2cc3cc(C(=O)O)ccc3cc2c1`
ZINC1673354	0.727	238.3 Da LogP 3.82 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(CCc1ccccc1)CCc1ccccc1`
ZINC1693912	0.727	266.3 Da LogP 3.39 TPSA 34.1	✓ Ro5	Alert	`O=C(CCc1ccccc1)C(=O)CCc1ccccc1`
ZINC3844983	0.720	260.3 Da LogP 3.91 TPSA 34.1	✓ Ro5	Alert	`O=C(C(=O)c1ccc2ccccc2c1)c1ccccc1`
ZINC2529014	0.704	248.3 Da LogP 4.21 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc3ccccc3c2)cc1`
ZINC39428991	0.704	222.2 Da LogP 3.69 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2c(ccc3ccccc32)c1`
ZINC44672411	0.704	248.3 Da LogP 4.21 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2cc(-c3ccccc3)ccc2c1`
ZINC2516358	0.700	224.3 Da LogP 3.81 TPSA 17.1	✓ Ro5	✓ Clean	`Cc1ccccc1CCC(=O)c1ccccc1`
ZINC1680758	0.692	232.3 Da LogP 4.07 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1ccccc1)c1ccc2ccccc2c1`
ZINC247409588	0.692	220.3 Da LogP 2.44 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)CCCC(=O)CCc1ccccc1`
ZINC29563531	0.692	200.2 Da LogP 2.11 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)C(=O)c1ccc2ccccc2c1`
ZINC1558609	0.680	248.4 Da LogP 4.43 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCc1ccccc1`
ZINC2510086	0.680	262.4 Da LogP 4.82 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCc1ccccc1`
ZINC2575483	0.680	206.3 Da LogP 3.26 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCc1ccccc1`
ZINC2575484	0.680	220.3 Da LogP 3.65 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCc1ccccc1`
ZINC2575485	0.680	234.3 Da LogP 4.04 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCc1ccccc1`
ZINC71256874	0.679	248.3 Da LogP 4.21 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccc(-c3ccccc3)cc2c1`
ZINC84551502	0.677	243.1 Da LogP 2.77 TPSA 37.3	✓ Ro5	✓ Clean	`Cc1cccc(CCC(=O)O)c1Br`
ZINC11962728	0.667	242.3 Da LogP 3.50 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(Oc2ccccc2)cc1`
ZINC1727327	0.667	208.2 Da LogP 1.33 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCc1ccccc1CC(=O)O`
ZINC19436641	0.667	203.2 Da LogP 1.66 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(NO)c1ccc2ccccc2c1O`
ZINC345518	0.667	222.2 Da LogP 3.69 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccc3ccccc3c2c1`
ZINC49820418	0.667	226.3 Da LogP 3.37 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCc1cccc(-c2ccccc2)c1`
ZINC100476725	0.656	290.3 Da LogP 4.00 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(CC(=O)c1ccc2ccccc2c1O)c1ccccc1`
ZINC71392	0.656	263.3 Da LogP 3.80 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1)c1ccc2ccccc2c1O`
ZINC1512447	0.655	276.3 Da LogP 3.77 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1C(=O)c1ccc2ccccc2c1`
ZINC156804	0.655	251.1 Da LogP 3.30 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccccc2c1Br`
ZINC1571200	0.655	216.2 Da LogP 2.24 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccccc2c1C(=O)O`
ZINC163985	0.655	256.3 Da LogP 3.28 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(OCc2ccccc2)cc1`
ZINC2529015	0.655	248.3 Da LogP 4.21 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cccc(-c2ccc3ccccc3c2)c1`
ZINC144318170	0.654	214.2 Da LogP 2.74 TPSA 54.4	✓ Ro5	✓ Clean	`CC(=O)c1ccc2cc(C(=O)O)ccc2c1`
ZINC6535079	0.654	204.2 Da LogP 1.95 TPSA 77.8	✓ Ro5	Alert	`O=C(O)c1ccc2cc(O)c(O)cc2c1`
ZINC1667321	0.645	200.2 Da LogP 3.14 TPSA 37.3	✓ Ro5	✓ Clean	`CCC(=O)c1ccc2ccccc2c1O`
ZINC19837284	0.645	201.2 Da LogP 1.90 TPSA 49.3	✓ Ro5	✓ Clean	`CNC(=O)c1ccc2ccccc2c1O`
ZINC2516359	0.645	238.3 Da LogP 4.12 TPSA 17.1	✓ Ro5	✓ Clean	`Cc1ccccc1CCC(=O)c1ccccc1C`
ZINC2516382	0.645	252.4 Da LogP 4.43 TPSA 17.1	✓ Ro5	✓ Clean	`Cc1ccccc1CCC(=O)c1c(C)cccc1C`
ZINC2378594	0.643	224.2 Da LogP 3.58 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1ccc2ccccc2c1)C(F)(F)F`
ZINC3132463	0.643	212.3 Da LogP 4.07 TPSA 17.1	✓ Ro5	✓ Clean	`CC(C)(C)C(=O)c1ccc2ccccc2c1`
ZINC394670686	0.643	273.5 Da LogP 4.39 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1ccc2ccccc2c1)C(Cl)(Cl)Cl`
ZINC1089845	0.640	210.3 Da LogP 3.50 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(CCc1ccccc1)c1ccccc1`
ZINC15780483	0.640	224.3 Da LogP 3.43 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(CCc1ccccc1)Cc1ccccc1`
ZINC1663872	0.640	276.1 Da LogP 2.31 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(I)cc1`
ZINC2574309	0.640	229.1 Da LogP 2.47 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(Br)cc1`

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.