Protein profile

KP13_32244

multidrug efflux protein EmrE

Genome: KpKP13

Gene: AHE41785.1 emrE Structure source: AlphaFold + ColabFold UniProt A0A483LXQ4
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Amino acids 110
Annotations 8
Features 17
PDB binders 0
Druggability 0.928

Overview

Basic information about this protein and its source genome.

Accession
KP13_32244
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE41785.1 emrE
Status
annotated
Amino acids
110
Structure source
AlphaFold + ColabFold
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: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: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.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Human identity (%)
0.0
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
73.636
DEG E-value
1.75e-54
Localization
CytoplasmicMembrane
ColabFold pLDDT
70.16

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 0.928
Structure A0A483LXQ4
Pocket Pocket 4
P2Rank 0.005
Structure A0A483LXQ4
Pocket Pocket 1
ColabFold model
FPocket 0.707 · Pocket 2
P2Rank 0.017 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 138 / 4744 genomes with a hit
Normalized 0.029

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

8 GO

Gene Ontology (GO)

8
  • 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: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: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: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:1990961 A process that reduces or removes the toxicity of a xenobiotic by exporting it outside the cell.

Sequence Features

Domain/signature hits from InterPro and related databases.

17 records
Show feature table
Start End DB Term Name
1 109 FunFam G3DSA:1.10.3730.20:FF:000001 Quaternary ammonium compound resistance transporter SugE
105 110 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
80 84 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
30 48 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
1 110 Gene3D G3DSA:1.10.3730.20 -
1 29 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 108 PANTHER PTHR30561 SMR FAMILY PROTON-DEPENDENT DRUG EFFLUX TRANSPORTER SUGE
1 108 InterPro IPR000390 Small drug/metabolite transporter protein family
49 59 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
6 106 SUPERFAMILY SSF103481 Multidrug resistance efflux transporter EmrE
85 104 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
3 94 Pfam PF00893 Small Multidrug Resistance protein
3 94 InterPro IPR045324 Small multidrug resistance protein
27 49 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
83 105 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
60 79 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
56 78 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.

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_A0A483LXQ4
AlphaFold — — full sequence — Viewing
ColabFold KP13_32244
ColabFold — — full sequence — Loaded
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
4 0.928

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.