Protein profile

PA3236

glycine betaine-binding protein

Genome: NC_002516.2

Gene: PA3236 Structure source: AlphaFold UniProt Q9HZ04
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Amino acids 285
Annotations 8
Features 14
PDB binders 9
Druggability 0.643

Overview

Basic information about this protein and its source genome.

Accession
PA3236
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA3236
Status
annotated
Amino acids
285
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:0042597 The region between the inner (cytoplasmic) and outer membrane (Gram-negative Bacteria) or cytoplasmic membrane and cell wall (Fungi and Gram-positive Bacteria). GO:0015418 Catalysis of the reaction: ATP + H2O + quaternary ammonium(out) = ADP + H+ + phosphate + quaternary ammonium(in). GO:0050997 Binding to a quaternary ammonium group, including glycine betaine, choline, carnitine and proline. A quaternary ammonium group is any compound that can be regarded as derived from ammonium hydroxide or an ammonium salt by replacement of all four hydrogen atoms of the NH4+ ion by organic groups. 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.

Target profile

Computed evidence for target prioritization.

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

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 0.643
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MRMMRRLLCWSAGLAMSAAVGMAAAADKPVITIGYVDGWSDSVATTHVAAEVIREKLGYEVKLMPVAAGIMWQGVARGKLDAMLSAWLPGTHGAYYEKMKDKVVNLAINYPDARIGLIVPEYVSANSIADLQAQKDAFGGRVVGIDAGAGVMIKTDEAIKQYGLDYKLVASSGSGMIAELTRAENEKKPVVVTGWIPHWMFAKWKLKFLDDPKKVYGDTEHVDTVANPALEAKAKPVWEFLKKFGWKDGNEVGQVMLAIQEGAKPEDAAKQWVAANPGRVKDWVQ

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

8 GO

Gene Ontology (GO)

8
  • 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:0042597 The region between the inner (cytoplasmic) and outer membrane (Gram-negative Bacteria) or cytoplasmic membrane and cell wall (Fungi and Gram-positive Bacteria).
  • GO:0015418 Catalysis of the reaction: ATP + H2O + quaternary ammonium(out) = ADP + H+ + phosphate + quaternary ammonium(in).
  • GO:0050997 Binding to a quaternary ammonium group, including glycine betaine, choline, carnitine and proline. A quaternary ammonium group is any compound that can be regarded as derived from ammonium hydroxide or an ammonium salt by replacement of all four hydrogen atoms of the NH4+ ion by organic groups.
  • 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:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
  • 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.

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records
Show feature table
Start End DB Term Name
26 285 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
23 284 SUPERFAMILY SSF53850 Periplasmic binding protein-like II
19 25 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
1 25 SignalP_EUK SignalP-noTM SignalP-noTM
31 285 CDD cd13639 PBP2_OpuAC_like
32 284 Gene3D G3DSA:3.40.190.10 -
1 25 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
1 6 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
7 18 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
31 274 Pfam PF04069 Substrate binding domain of ABC-type glycine betaine transport system
31 274 InterPro IPR007210 ABC-type glycine betaine transport system, substrate-binding domain
113 216 Gene3D G3DSA:3.40.190.100 -
7 26 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
1 25 Phobius SIGNAL_PEPTIDE Signal peptide region

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 PA3236
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 0.643

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.

59 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
7AHH
A0A0V8ETW8 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…
313
3CHG
P46922 122.2 Da LogP 0.33 TPSA 37.3 ✓ Ro5 ✓ Clean CS(C)CC(=O)O
3Q7
5NXX
P46922 178.1 Da LogP 0.07 TPSA 40.1 ✓ Ro5 ✓ Clean C[As+](C)(C)CC(=O)[O-]
ACH
2RIN
Q92N37 146.2 Da LogP 0.26 TPSA 26.3 ✓ Ro5 ✓ Clean CC(=O)OCC[N+](C)(C)C
ANP
7AHH
A0A0V8ETW8 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)…
B3P
3L6G
Q7DAU8 282.3 Da LogP -4.01 TPSA 145.4 1 viol. ✓ Clean C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
BET
7AHD
A0A0V8ETW8 118.2 Da LogP -0.22 TPSA 37.3 ✓ Ro5 ✓ Clean C[N+](C)(C)CC(=O)O
CHT
2REG
Q92N37 104.2 Da LogP -0.32 TPSA 20.2 ✓ Ro5 ✓ Clean C[N+](C)(C)CCO
PBE
2B4M
P46922 144.2 Da LogP 0.31 TPSA 37.3 ✓ Ro5 ✓ Clean C[N+]1(CCC[C@H]1C(=O)O)C

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.