Protein profile

PA4594

ABC transporter ATP-binding protein

Genome: NC_002516.2

Gene: PA4594 Structure source: AlphaFold UniProt Q9HVJ2
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Amino acids 228
Annotations 6
Features 17
PDB binders 4
Druggability 0.603

Overview

Basic information about this protein and its source genome.

Accession
PA4594
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA4594
Status
annotated
Amino acids
228
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:1902495 A transmembrane protein complex which enables the transfer of a substance from one side of a membrane to the other. 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: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 (%)
40.476
Human E-value
3.53e-08
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 0.603
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

6
  • 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:1902495 A transmembrane protein complex which enables the transfer of a substance from one side of a membrane to the other.
  • 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: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.

17 records
Show feature table
Start End DB Term Name
1 221 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
1 221 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
142 156 ProSitePatterns PS00211 ABC transporters family signature.
142 156 InterPro IPR017871 ABC transporter-like, conserved site
1 224 FunFam G3DSA:3.40.50.300:FF:000032 Export ABC transporter ATP-binding protein
1 226 Gene3D G3DSA:3.40.50.300 -
1 226 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
1 222 PANTHER PTHR24220 IMPORT ATP-BINDING PROTEIN
1 222 InterPro IPR015854 ABC transporter, lipoprotein release, LolD-like
2 219 CDD cd03255 ABC_MJ0796_LolCDE_FtsE
2 219 InterPro IPR017911 MacB, ATP-binding domain
30 218 SMART SM00382 AAA_5
30 218 InterPro IPR003593 AAA+ ATPase domain
21 169 Pfam PF00005 ABC transporter
21 169 InterPro IPR003439 ABC transporter-like, ATP-binding domain
2 226 ProSiteProfiles PS50893 ATP-binding cassette, ABC transporter-type domain profile.
2 226 InterPro IPR003439 ABC transporter-like, ATP-binding 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 PA4594
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 0.603
2 0.423

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

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
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
5WS4
A0A0D8G707 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)…
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.