Protein profile

PA1144

major facilitator superfamily transporter

Genome: NC_002516.2

Gene: PA1144 Structure source: AlphaFold UniProt Q9I4J1

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Amino acids 444

Annotations 3

Features 50

PDB binders 0

Druggability 0.906

Overview

Basic information about this protein and its source genome.

Accession: PA1144
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1144
Status: annotated
Amino acids: 444
Structure source: AlphaFold

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. 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: hit
Human identity (%): 34.146
Human E-value: 4.95e-13
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 0.906

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:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
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.

50 records

Show feature table

Start	End	DB	Term	Name
180	199	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
240	266	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
278	298	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
148	170	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
89	114	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	19	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
89	111	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
307	326	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
144	154	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
27	387	Pfam	PF07690	Major Facilitator Superfamily
27	387	InterPro	IPR011701	Major facilitator superfamily
13	216	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
13	216	InterPro	IPR036259	MFS transporter superfamily
230	425	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
230	425	InterPro	IPR036259	MFS transporter superfamily
175	179	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
65	82	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
200	239	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
352	371	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
20	37	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
19	418	CDD	cd17312	MFS_OPA_SLC37
37	64	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
267	277	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
333	355	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
400	418	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
334	351	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
240	262	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
5	434	PIRSF	PIRSF002808	Hexose_phosphate_transp
5	434	InterPro	IPR000849	Sugar phosphate transporter
397	419	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
115	125	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
126	143	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
419	444	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
368	390	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
395	399	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
299	309	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
83	88	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
372	394	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
275	297	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
13	418	PANTHER	PTHR43184	MAJOR FACILITATOR SUPERFAMILY TRANSPORTER 16, ISOFORM B
20	36	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
182	199	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
310	328	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
14	418	SUPERFAMILY	SSF103473	MFS general substrate transporter
14	418	InterPro	IPR036259	MFS transporter superfamily
155	174	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
65	82	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
22	422	ProSiteProfiles	PS50850	Major facilitator superfamily (MFS) profile.
22	422	InterPro	IPR020846	Major facilitator superfamily domain
329	333	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.

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 PA1144	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				0.386
5				0.324

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.

21 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.

No PDB ligands found through similar proteins.

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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL236247	O43826	8.70	604.1 Da LogP 4.05 TPSA 144.0	1 viol.	✓ Clean	`O=C(/C=C(/c1ccccc1)n1cnc2ncccc21)O[C@@H]1C[C@](…`
CHEMBL238371	O43826	8.30	548.5 Da LogP 2.31 TPSA 223.8	2 viol.	Alert	`O=C(O)CC(O)CCC(=O)c1cccc(O)c1C(=O)c1c(C(=O)O)c(…`
CHEMBL3218305	O43826	7.10	644.7 Da LogP 4.59 TPSA 198.9	3 viol.	Alert	`CCCC(C)/C=C(C)/C=C/C(=O)CC1=C(c2cc(O)c(O)cc2C2=…`
CHEMBL3218306	O43826	6.89	660.7 Da LogP 4.29 TPSA 219.1	3 viol.	Alert	`CCCC(C)/C=C(C)/C=C/C(=O)CC1=C(c2cc(O)c(O)cc2C2=…`
CHEMBL3218302	O43826	6.68	502.9 Da LogP 3.13 TPSA 133.5	1 viol.	✓ Clean	`O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](OC[C@@H]2C[C…`
CHEMBL3218303	O43826	6.48	552.6 Da LogP 5.41 TPSA 148.8	2 viol.	✓ Clean	`COc1cc(OC(=O)c2c(C)cc(O)c(C)c2O)c(C)c(C)c1C(=O)…`
DWT	O43826	6.29	503.5 Da LogP 5.75 TPSA 97.6	2 viol.	✓ Clean	`Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5c…`

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
ZINC1687273	0.600	374.4 Da LogP 3.56 TPSA 102.3	✓ Ro5	✓ Clean	`COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c…`
ZINC1655202	0.583	360.4 Da LogP 3.26 TPSA 113.3	✓ Ro5	✓ Clean	`COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1C`
ZINC31166761	0.583	402.4 Da LogP 4.18 TPSA 102.3	✓ Ro5	✓ Clean	`COc1c(C)c(O)c(C)c(C)c1C(=O)Oc1c(C)c(C)c(C(=O)O)…`
ZINC13514678	0.563	338.3 Da LogP -0.35 TPSA 144.5	✓ Ro5	✓ Clean	`O=C(/C=C\c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[…`
ZINC34042772	0.563	338.3 Da LogP -0.35 TPSA 144.5	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C…`
ZINC3804525	0.563	338.3 Da LogP -0.35 TPSA 144.5	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[…`
ZINC1674499	0.538	388.4 Da LogP 3.65 TPSA 91.3	✓ Ro5	✓ Clean	`COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC)c(C)c2OC)c(C)…`
ZINC220133900	0.538	398.3 Da LogP 3.77 TPSA 85.1	✓ Ro5	✓ Clean	`Cc1nc2nc(-c3cccnc3)nn2cc1C(=O)Nc1cccc(C(F)(F)F)…`
ZINC20148987	0.532	414.4 Da LogP 4.50 TPSA 97.1	✓ Ro5	✓ Clean	`Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)…`
ZINC9306398	0.512	398.3 Da LogP 3.77 TPSA 85.1	✓ Ro5	✓ Clean	`Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2nc(-c3cccnc3)…`
ZINC5049572	0.507	336.3 Da LogP 4.22 TPSA 58.2	✓ Ro5	✓ Clean	`CC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C`
ZINC13334444	0.500	298.2 Da LogP 1.88 TPSA 111.9	✓ Ro5	Alert	`Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O`
ZINC514287780	0.500	338.3 Da LogP -0.35 TPSA 144.5	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccc(O)cc1)O[C@]1(C(=O)O)C[C@@H](O)[C…`
ZINC8740080	0.500	420.3 Da LogP 1.86 TPSA 187.9	✓ Ro5	✓ Clean	`COc1cc(C)c(C(=O)Oc2c(C)c(C(=O)O)c(O)c(C=O)c2O)c…`

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.