Protein profile

PA1540

multidrug efflux system protein MdtI

Genome: NC_002516.2

Gene: PA1540 Structure source: AlphaFold UniProt Q9I3H3
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Amino acids 109
Annotations 10
Features 20
PDB binders 0
Druggability 0.906

Overview

Basic information about this protein and its source genome.

Accession
PA1540
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA1540
Status
annotated
Amino acids
109
Structure source
AlphaFold
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:0015199 Enables the transfer of betaine from one side of a membrane to the other. Betaine is the N-trimethyl derivative of an amino acid. GO:0015297 Enables the active transport of a solute across a membrane by a mechanism whereby two or more species are transported in opposite directions in a tightly coupled process not directly linked to a form of energy other than chemiosmotic energy. The reaction is: solute A(out) + solute B(in) = solute A(in) + solute B(out). GO:0015220 Enables the transfer of choline from one side of a membrane to the other. Choline (2-hydroxyethyltrimethylammonium) is an amino alcohol that occurs widely in living organisms as a constituent of certain types of phospholipids and in the neurotransmitter acetylcholine. GO:0015871 The directed movement of choline into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Choline (2-hydroxyethyltrimethylammonium) is an amino alcohol that occurs widely in living organisms as a constituent of certain types of phospholipids and in the neurotransmitter acetylcholine. GO:0031460 The directed movement of glycine betaine, N-trimethylglycine, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
Y
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.

10 GO

Gene Ontology (GO)

10
  • 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:0015199 Enables the transfer of betaine from one side of a membrane to the other. Betaine is the N-trimethyl derivative of an amino acid.
  • GO:0015297 Enables the active transport of a solute across a membrane by a mechanism whereby two or more species are transported in opposite directions in a tightly coupled process not directly linked to a form of energy other than chemiosmotic energy. The reaction is: solute A(out) + solute B(in) = solute A(in) + solute B(out).
  • GO:0015220 Enables the transfer of choline from one side of a membrane to the other. Choline (2-hydroxyethyltrimethylammonium) is an amino alcohol that occurs widely in living organisms as a constituent of certain types of phospholipids and in the neurotransmitter acetylcholine.
  • GO:0015871 The directed movement of choline into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Choline (2-hydroxyethyltrimethylammonium) is an amino alcohol that occurs widely in living organisms as a constituent of certain types of phospholipids and in the neurotransmitter acetylcholine.
  • GO:0031460 The directed movement of glycine betaine, N-trimethylglycine, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:1903711 The process in which spermidine is transported across a membrane.
  • GO:1990961 A process that reduces or removes the toxicity of a xenobiotic by exporting it outside the cell.
  • 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:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.

Sequence Features

Domain/signature hits from InterPro and related databases.

20 records
Show feature table
Start End DB Term Name
39 56 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
7 99 Pfam PF00893 Small Multidrug Resistance protein
7 99 InterPro IPR045324 Small multidrug resistance protein
6 109 FunFam G3DSA:1.10.3730.20:FF:000001 Quaternary ammonium compound resistance transporter SugE
6 25 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
57 61 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
62 81 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
1 5 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
88 106 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
107 109 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
12 108 SUPERFAMILY SSF103481 Multidrug resistance efflux transporter EmrE
88 106 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
61 83 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
37 56 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
82 87 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
10 108 PANTHER PTHR30561 SMR FAMILY PROTON-DEPENDENT DRUG EFFLUX TRANSPORTER SUGE
10 108 InterPro IPR000390 Small drug/metabolite transporter protein family
26 36 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
4 26 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
7 109 Gene3D G3DSA:1.10.3730.20 -

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 PA1540
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 0.906
2 0.545

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

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

Show only:
Ligand UniProt (homolog) pchembl MW · LogP · TPSA Lipinski PAINS SMILES
CHEMBL891 Q3S5C3 8.40 435.9 Da LogP 2.55 TPSA 112.7 ✓ Ro5 ✓ Clean Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]…
CHEMBL158 Q3S5C3 8.22 435.4 Da LogP -1.17 TPSA 201.6 ✓ Ro5 ✓ Clean C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N…
CHEMBL333078 Q3S5C3 6.52 270.3 Da LogP -0.74 TPSA 115.5 ✓ Ro5 ✓ Clean C[C@]1(/C=C\C#N)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=…
CHEMBL224214 Q2FD83 — 204.6 Da LogP 2.16 TPSA 72.0 ✓ Ro5 Alert N#CC(C#N)=NNc1cccc(Cl)c1

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.