Protein profile

PA5376

ABC transporter ATP-binding protein

Genome: NC_002516.2

Gene: PA5376 Structure source: AlphaFold UniProt Q9HTI8
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Amino acids 392
Annotations 19
Features 16
PDB binders 7
Druggability 0.73

Overview

Basic information about this protein and its source genome.

Accession
PA5376
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA5376
Status
annotated
Amino acids
392
Structure source
AlphaFold
GO
GO:0043190 A complex for the transport of metabolites into and out of the cell, typically comprised of four domains; two membrane-associated domains and two ATP-binding domains at the intracellular face of the membrane, that form a central pore through the plasma membrane. Each of the four core domains may be encoded as a separate polypeptide or the domains can be fused in any one of a number of ways into multidomain polypeptides. In Bacteria and Archaebacteria, ABC transporters also include substrate binding proteins to bind substrate external to the cytoplasm and deliver it to the transporter. GO:0055052 A complex for the transport of metabolites into the cell, consisting of 5 subunits: two ATP-binding subunits, two membrane spanning subunits, and one substrate-binding subunit. In organisms with two membranes, the substrate-binding protein moves freely in the periplasmic space and joins the other subunits only when bound with substrate. In organisms with only one membrane the substrate-binding protein is tethered to the cytoplasmic membrane and associated with the other subunits. Transport of the substrate across the membrane is driven by the hydrolysis of ATP. GO:0033266 Catalysis of the reaction: ATP + H2O = ADP + phosphate, to directly drive the transport of choline across a membrane. GO:0031459 Catalysis of the reaction: ATP + H2O + glycine betaine(out) = ADP + phosphate + glycine betaine(in). GO:0015418 Catalysis of the reaction: ATP + H2O + quaternary ammonium(out) = ADP + H+ + phosphate + quaternary ammonium(in). GO:0015419 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: ATP + H2O + sulfate(out) = ADP + phosphate + sulfate(in).

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
34.737
Human E-value
2.68e-08
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 0.73
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MTAIRFDHVDVIFGTHTKEALKLLDQGLGRAEILKRTGQVLGVEDACLDVNRGEICVLMGLSGSGKSSLLRCINGLNKVSRGKLLIEHEGSQVDIANCSPATLKAMRTKRIAMVFQKFALMPWLTVAENVGFGLEMQGRPAAERKKLIDEKLELVGLSQWRDKRPDSLSGGMQQRVGLARALAMDGDILLMDEPFSALDPLIRQQLQDELLVLQRQLHKTIVFVSHDLDEALKIGTRIAIMKDGRIIQHGKPEEIVLSPADDYVRTFVAHTNPLNVLCGQSLMRGLDQCIRQNDEICFDQGRDCWIGLSEGDVLKGARQGSNVIDLQRWRQGDPVEKLRREPTLVDVSIRMRDALQIRYQTGHKLVLQEQDRVVGVLGDSELYHALLGKNLG

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

19 GO

Gene Ontology (GO)

19
  • GO:0043190 A complex for the transport of metabolites into and out of the cell, typically comprised of four domains; two membrane-associated domains and two ATP-binding domains at the intracellular face of the membrane, that form a central pore through the plasma membrane. Each of the four core domains may be encoded as a separate polypeptide or the domains can be fused in any one of a number of ways into multidomain polypeptides. In Bacteria and Archaebacteria, ABC transporters also include substrate binding proteins to bind substrate external to the cytoplasm and deliver it to the transporter.
  • GO:0055052 A complex for the transport of metabolites into the cell, consisting of 5 subunits: two ATP-binding subunits, two membrane spanning subunits, and one substrate-binding subunit. In organisms with two membranes, the substrate-binding protein moves freely in the periplasmic space and joins the other subunits only when bound with substrate. In organisms with only one membrane the substrate-binding protein is tethered to the cytoplasmic membrane and associated with the other subunits. Transport of the substrate across the membrane is driven by the hydrolysis of ATP.
  • GO:0033266 Catalysis of the reaction: ATP + H2O = ADP + phosphate, to directly drive the transport of choline across a membrane.
  • GO:0031459 Catalysis of the reaction: ATP + H2O + glycine betaine(out) = ADP + phosphate + glycine betaine(in).
  • GO:0015418 Catalysis of the reaction: ATP + H2O + quaternary ammonium(out) = ADP + H+ + phosphate + quaternary ammonium(in).
  • GO:0015419 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: ATP + H2O + sulfate(out) = ADP + phosphate + sulfate(in).
  • GO:0005275 Enables the transfer of amines, including polyamines, from one side of a membrane to the other. Amines are organic compounds that are weakly basic in character and contain an amino (-NH2) or substituted amino group.
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
  • GO:0016887 Catalysis of the reaction: ATP + H2O = ADP + H+ phosphate. ATP hydrolysis is used in some reactions as an energy source, for example to catalyze a reaction or drive transport against a concentration gradient.
  • GO:0015226 Enables the transfer of carnitine across a membrane. Carnitine is a compound that participates in the transfer of acyl groups across the inner mitochondrial membrane.
  • GO:1901682 Enables the transfer of a sulfur compound from one side of a membrane to the other.
  • GO:0015838 The directed movement of betaine, the N-trimethyl derivative of an amino acid, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:1902603 The directed movement of carnitine across a membrane.
  • GO:0042426 The chemical reactions and pathways resulting in the breakdown of choline (2-hydroxyethyltrimethylammonium), 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:0031457 The chemical reactions and pathways resulting in the breakdown of glycine betaine, N-trimethylglycine.
  • 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:0006970 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus indicating an increase or decrease in the concentration of solutes outside the organism or cell.
  • 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.

Sequence Features

Domain/signature hits from InterPro and related databases.

16 records
Show feature table
Start End DB Term Name
4 389 NCBIfam TIGR03415 choline ABC transporter ATP-binding protein
4 389 InterPro IPR022473 ABC transporter, Choline, ATP-binding subunit
28 268 ProSiteProfiles PS50893 ATP-binding cassette, ABC transporter-type domain profile.
28 268 InterPro IPR003439 ABC transporter-like, ATP-binding domain
52 253 SMART SM00382 AAA_5
52 253 InterPro IPR003593 AAA+ ATPase domain
31 288 FunFam G3DSA:3.40.50.300:FF:000201 Glycine betaine/L-proline ABC transporter ATP-binding protein
31 294 Gene3D G3DSA:3.40.50.300 -
31 294 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
168 182 ProSitePatterns PS00211 ABC transporters family signature.
168 182 InterPro IPR017871 ABC transporter-like, conserved site
46 195 Pfam PF00005 ABC transporter
46 195 InterPro IPR003439 ABC transporter-like, ATP-binding domain
2 390 PANTHER PTHR43869 GLYCINE BETAINE/PROLINE BETAINE TRANSPORT SYSTEM ATP-BINDING PROTEIN PROV
34 274 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
34 274 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase

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 PA5376
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
2 0.73
1 0.542
5 0.44
6 0.39

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.

57 records

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.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
2BA
7AHE
Q9KIF7 658.4 Da LogP -1.63 TPSA 309.7 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)C…
AGS
3C4J
D0VWX4 523.2 Da LogP -1.51 TPSA 262.1 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
ANP
3C41
D0VWX4 506.2 Da LogP -2.06 TPSA 281.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
AT4
2OLK
D0VWX4 443.3 Da LogP -0.81 TPSA 212.4 2 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
BET
7AHH
Q9KIF7 118.2 Da LogP -0.22 TPSA 37.3 ✓ Ro5 ✓ Clean C[N+](C)(C)CC(=O)O
NH4
1G29
Q9YGA6 18.0 Da LogP 0.38 TPSA 36.5 ✓ Ro5 ✓ Clean [NH4+]
POP
2D62
O57933 176.0 Da LogP -2.08 TPSA 129.9 ✓ Ro5 ✓ Clean O[P@@](=O)([O-])O[P@@](=O)(O)[O-]

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.