Protein profile

PA1165

4'-phosphopantetheinyl transferase

Genome: NC_002516.2

Gene: pcpS PA1165 Structure source: Experimental + AlphaFold UniProt Q9I4H2
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Amino acids 242
Annotations 7
Features 14
PDB binders 1
Druggability 0.256

Overview

Basic information about this protein and its source genome.

Accession
PA1165
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
pcpS PA1165
Status
annotated
Amino acids
242
Structure source
Experimental + AlphaFold
GO
GO:0009366 A multienzyme complex usually composed of four proteins, EntB, EntD, EntE and EntF. Plays a role in the enterobactin biosynthesis pathway. GO:0008897 Catalysis of the reaction: CoA + substrate-serine = adenosine 3',5'-bisphosphate + substrate-serine-4'-phosphopantetheine. The transfer of the 4'-phosphopantetheine (Ppant) co-factor from coenzyme A to the hydroxyl side chain of the serine residue of acyl- or peptidyl-carrier protein (ACP or PCP) to convert them from the apo to the holo form. GO:0000287 Binding to a magnesium (Mg) ion. GO:0016740 Catalysis of the transfer of a group, e.g. a methyl group, glycosyl group, acyl group, phosphorus-containing, or other groups, from one compound (generally regarded as the donor) to another compound (generally regarded as the acceptor). Transferase is the systematic name for any enzyme of EC class 2. GO:0009239 The chemical reactions and pathways resulting in the formation of enterobactin, a catechol-derived siderochrome of Enterobacteria; enterobactin (N',N',N''-(2,6,10-trioxo-1,5,9-triacyclodecane-3,7,11-triyl)tris(2,3-dihydroxy)benzamide) is a self-triester of 2,3-dihydroxy-N-benzoyl-L-serine and a product of the shikimate pathway. GO:0009237 The chemical reactions and pathways involving siderophores, low molecular weight Fe(III)-chelating substances made by aerobic or facultatively anaerobic bacteria, especially when growing under iron deficient conditions. The complexes of Fe(3+)-siderophores have very high stability constants and are taken up by specific transport systems by microorganisms; the subsequent release of iron requires enzymatic action.

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 0.256
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Gene Ontology (GO)

7
  • GO:0009366 A multienzyme complex usually composed of four proteins, EntB, EntD, EntE and EntF. Plays a role in the enterobactin biosynthesis pathway.
  • GO:0008897 Catalysis of the reaction: CoA + substrate-serine = adenosine 3',5'-bisphosphate + substrate-serine-4'-phosphopantetheine. The transfer of the 4'-phosphopantetheine (Ppant) co-factor from coenzyme A to the hydroxyl side chain of the serine residue of acyl- or peptidyl-carrier protein (ACP or PCP) to convert them from the apo to the holo form.
  • GO:0000287 Binding to a magnesium (Mg) ion.
  • GO:0016740 Catalysis of the transfer of a group, e.g. a methyl group, glycosyl group, acyl group, phosphorus-containing, or other groups, from one compound (generally regarded as the donor) to another compound (generally regarded as the acceptor). Transferase is the systematic name for any enzyme of EC class 2.
  • GO:0009239 The chemical reactions and pathways resulting in the formation of enterobactin, a catechol-derived siderochrome of Enterobacteria; enterobactin (N',N',N''-(2,6,10-trioxo-1,5,9-triacyclodecane-3,7,11-triyl)tris(2,3-dihydroxy)benzamide) is a self-triester of 2,3-dihydroxy-N-benzoyl-L-serine and a product of the shikimate pathway.
  • GO:0009237 The chemical reactions and pathways involving siderophores, low molecular weight Fe(III)-chelating substances made by aerobic or facultatively anaerobic bacteria, especially when growing under iron deficient conditions. The complexes of Fe(3+)-siderophores have very high stability constants and are taken up by specific transport systems by microorganisms; the subsequent release of iron requires enzymatic action.
  • GO:0016780 Catalysis of the transfer of a substituted phosphate group, other than diphosphate or nucleotidyl residues, from one compound (donor) to a another (acceptor).

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records
Show feature table
Start End DB Term Name
91 109 PRINTS PR01399 Enterobactin synthetase component D signature
91 109 InterPro IPR003542 Enterobactin synthetase-like, component D
169 185 PRINTS PR01399 Enterobactin synthetase component D signature
169 185 InterPro IPR003542 Enterobactin synthetase-like, component D
61 81 PRINTS PR01399 Enterobactin synthetase component D signature
61 81 InterPro IPR003542 Enterobactin synthetase-like, component D
1 240 PANTHER PTHR38096 ENTEROBACTIN SYNTHASE COMPONENT D
1 240 InterPro IPR003542 Enterobactin synthetase-like, component D
123 221 SUPERFAMILY SSF56214 4'-phosphopantetheinyl transferase
123 221 InterPro IPR037143 4'-phosphopantetheinyl transferase domain superfamily
125 220 Pfam PF01648 4'-phosphopantetheinyl transferase superfamily
125 220 InterPro IPR008278 4'-phosphopantetheinyl transferase domain
56 118 Pfam PF17837 4'-phosphopantetheinyl transferase N-terminal domain
56 118 InterPro IPR041354 4'-phosphopantetheinyl transferase, N-terminal 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

1 + 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 7BCZ
X-ray 2.40 Å A,B,C,D
100.0% 1-242
PDBe RCSB PDBj File
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AlphaFold PA1165
AlphaFold — — full sequence — Loaded
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 0.256
3 0.251

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 3.96 0.157
2 1.78 0.033
3 1.61 0.026

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.

33 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
FD7
6CT5
O33336 262.4 Da LogP 2.48 TPSA 77.0 ✓ Ro5 ✓ Clean [H]/N=C(/NCC)\NC(=O)Nc1c(cccc1CC)CC

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.