Protein profile

PA3891

ABC transporter ATP-binding protein

Genome: NC_002516.2

Gene: PA3891 Structure source: AlphaFold UniProt Q9HXC2
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Amino acids 387
Annotations 15
Features 32
PDB binders 6
Druggability 0.586

Overview

Basic information about this protein and its source genome.

Accession
PA3891
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA3891
Status
annotated
Amino acids
387
Structure source
AlphaFold
EC
7.6.2.9
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:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. 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:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
42.857
Human E-value
2.3e-12
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 0.586
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 14 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

14
  • 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:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
  • 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: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:0000166 Binding to a nucleotide, any compound consisting of a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the ribose or deoxyribose.
  • GO:0006865 The directed movement of amino acids, organic acids containing one or more amino substituents, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • 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:0071475 Any process that results in a change in state or activity of a cell (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of detection of, or exposure to, an increase in the concentration of salt (particularly but not exclusively sodium and chloride ions) in the environment.
  • 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: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.

32 records
Show feature table
Start End DB Term Name
257 368 Gene3D G3DSA:3.10.580.10 -
257 368 InterPro IPR046342 CBS domain superfamily
262 310 SMART SM00116 cbs_1
262 310 InterPro IPR000644 CBS domain
321 367 SMART SM00116 cbs_1
321 367 InterPro IPR000644 CBS domain
253 367 SUPERFAMILY SSF54631 CBS-domain pair
253 367 InterPro IPR046342 CBS domain superfamily
4 261 FunFam G3DSA:3.40.50.300:FF:000201 Glycine betaine/L-proline ABC transporter ATP-binding protein
20 367 NCBIfam TIGR01186 betaine/proline/choline family ABC transporter ATP-binding protein
20 367 InterPro IPR005892 Glycine betaine/proline betaine transport system ATP-binding protein ProV-like
321 367 Pfam PF00571 CBS domain
260 307 Pfam PF00571 CBS domain
260 307 InterPro IPR000644 CBS domain
141 155 ProSitePatterns PS00211 ABC transporters family signature.
141 155 InterPro IPR017871 ABC transporter-like, conserved site
23 168 Pfam PF00005 ABC transporter
23 168 InterPro IPR003439 ABC transporter-like, ATP-binding domain
2 241 ProSiteProfiles PS50893 ATP-binding cassette, ABC transporter-type domain profile.
2 241 InterPro IPR003439 ABC transporter-like, ATP-binding domain
1 256 Gene3D G3DSA:3.40.50.300 -
1 256 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
1 245 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
1 245 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
31 226 SMART SM00382 AAA_5
31 226 InterPro IPR003593 AAA+ ATPase domain
257 367 CDD cd04582 CBS_pair_ABC_OpuCA_assoc
1 342 PANTHER PTHR43117 OSMOPROTECTANT IMPORT ATP-BINDING PROTEIN OSMV
316 372 ProSiteProfiles PS51371 CBS domain profile.
316 372 InterPro IPR000644 CBS domain
259 315 ProSiteProfiles PS51371 CBS domain profile.
259 315 InterPro IPR000644 CBS domain

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 PA3891
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
3 0.556
1 0.34
2 0.31

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.

56 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
5KS7
Q9KHT9 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
6CVL
P30750 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
7AHH
Q9KIF7 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)…
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.