Protein profile

PA3542

alginate biosynthesis protein Alg44

Genome: NC_002516.2

Gene: alg44 PA3542 Structure source: Experimental + AlphaFold UniProt Q9HY69
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Amino acids 389
Annotations 12
Features 11
PDB binders 1
Druggability 0.73

Overview

Basic information about this protein and its source genome.

Accession
PA3542
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
alg44 PA3542
Status
annotated
Amino acids
389
Structure source
Experimental + AlphaFold
EC
2.4.1.33
GO
GO:0009276 The peptidoglycan layer of the Gram-negative cell envelope. In Gram-negative cells the peptidoglycan is relatively thin (1-2nm) and is linked to the outer membrane by lipoproteins. In Gram-negative cells the peptidoglycan is too thin to retain the primary stain in the Gram staining procedure and therefore cells appear red after Gram stain. 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:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. GO:0047643 Catalysis of the reaction: GDP-D-mannuronate + alginate(n) = GDP + alginate(n+1). GO:0015125 Enables the transfer of bile acid from one side of a membrane to the other. Bile acids are any of a group of steroid carboxylic acids occurring in bile, where they are present as the sodium salts of their amides with glycine or taurine. GO:0035438 Binding to cyclic-di-GMP, cyclic dimeric guanosine monophosphate.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
Periplasmic

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.

MNTAVNVNVVHESEAQRQFARVKLPARIRYIGANREGVDARLLDLSAGGFAFTASGAPIQPGDLYKGKLLFQVDSISFSLEVEFQVRSVDPASRRVGCEFQNLKPREVAALRYLITSYLAGEVIGVGDMLNTLQRENFTKARKQGGGNGGMGFFGRVRAVTLSTAIFVVGVGAFAFILNQMYNLYFVTHADSGVVSVPNQQITMPREGTVQSLLGPNAEVAKGAPIATFSANLLDMLKGNLTEEQLNPGNIEKLFGHQMKGTLTSPCDCRVVQQLVADGQYANKGQVIFTLAPRDSVASIEARFPYRNAAELAPGTRVNFQVAGDGVNRSGRIVNTAPVDGDLSSEIRVQIQPDQPLDAQYAGRPAEVSIGGLPGRTLLNKAVTLATAR

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 11 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

11
  • GO:0009276 The peptidoglycan layer of the Gram-negative cell envelope. In Gram-negative cells the peptidoglycan is relatively thin (1-2nm) and is linked to the outer membrane by lipoproteins. In Gram-negative cells the peptidoglycan is too thin to retain the primary stain in the Gram staining procedure and therefore cells appear red after Gram stain.
  • 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:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
  • GO:0047643 Catalysis of the reaction: GDP-D-mannuronate + alginate(n) = GDP + alginate(n+1).
  • GO:0015125 Enables the transfer of bile acid from one side of a membrane to the other. Bile acids are any of a group of steroid carboxylic acids occurring in bile, where they are present as the sodium salts of their amides with glycine or taurine.
  • GO:0035438 Binding to cyclic-di-GMP, cyclic dimeric guanosine monophosphate.
  • GO:0004467 Catalysis of the reaction: a long-chain fatty acid + ATP + CoA = a long-chain fatty acyl-CoA + AMP + diphosphate. A long-chain fatty acid has an aliphatic tail containing 13 to 22 carbons.
  • GO:0042121 The chemical reactions and pathways resulting in the formation of alginic acid, a hydrophilic polysaccharide occurring in, for example, the cell walls of brown algae (brown seaweeds).
  • GO:0015721 The directed movement of bile acid and bile salts into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:0044010 A process in which planktonically growing microorganisms of the same species grow at a liquid-air interface or on a solid substrate under the flow of a liquid and produce extracellular polymers that facilitate matrix formation, resulting in a change in the organisms' growth rate and gene transcription.
  • 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.

11 records
Show feature table
Start End DB Term Name
262 357 Pfam PF13437 HlyD family secretion protein
159 178 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
12 122 Gene3D G3DSA:2.40.10.220 predicted glycosyltransferase like domains
198 292 Gene3D G3DSA:2.40.50.100 -
159 178 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
1 158 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
16 115 Pfam PF07238 PilZ domain
16 115 InterPro IPR009875 PilZ domain
259 370 PANTHER PTHR30386 MEMBRANE FUSION SUBUNIT OF EMRAB-TOLC MULTIDRUG EFFLUX PUMP
10 124 SUPERFAMILY SSF141371 PilZ domain-like
179 389 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular 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

3 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
PDB 4RT1
X-ray 1.70 Å A,B,C
28.0% 14-122
PDBe RCSB PDBj File
Viewing
PDB 4RT0
X-ray 1.80 Å A,B,C
28.0% 14-122
PDBe RCSB PDBj File
Loaded
PDB 4XRN
X-ray 2.00 Å A,B,C,D
27.5% 16-122
PDBe RCSB PDBj File
Loaded
AlphaFold PA3542
AlphaFold — — full sequence — Loaded
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK Sticks Spheres Surfaces Score Probability Labels Zoom Positions
1 4.09 0.165
2 1.41 0.018

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.

51 records
Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 1 50 via homologs
Structural ligands 1 1 loaded crystals
Bioactive compounds 0 50 ZINC candidates
Drug-like & clean 47 0 PAINS alerts
Best available ligand signal
C2E PDB co-crystal 690.4 Da · LogP -3.05 · TPSA 349.6
C2E PDB co-crystal ZINC12501894 ZINC candidate · Tanimoto 1.000 ZINC33494013 ZINC candidate · Tanimoto 1.000 ZINC4095501 ZINC candidate · Tanimoto 1.000

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

Show only:
Ligand Source crystal MW · LogP · TPSA Lipinski PAINS SMILES
C2E
4RT0 1.80 Å Open crystal
690.4 Da LogP -3.05 TPSA 349.6 3 viol. ✓ Clean c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=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.