Protein profile

PA3645

3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ

Genome: NC_002516.2

Gene: PA3645 fabZ Structure source: Experimental + AlphaFold UniProt Q9HXY7
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Amino acids 146
Annotations 7
Features 13
PDB binders 17
Druggability 0.822

Overview

Basic information about this protein and its source genome.

Accession
PA3645
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA3645 fabZ
Status
annotated
Amino acids
146
Structure source
Experimental + AlphaFold
EC
4.2.1.59
GO
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0019171 Catalysis of the reaction: a (3R)-hydroxyacyl-[acyl-carrier-protein] = a (2E)-enoyl-[acyl-carrier-protein] + H2O. GO:0006633 The chemical reactions and pathways resulting in the formation of a fatty acid, any of the aliphatic monocarboxylic acids that can be liberated by hydrolysis from naturally occurring fats and oils. Fatty acids are predominantly straight-chain acids of 4 to 24 carbon atoms, which may be saturated or unsaturated; branched fatty acids and hydroxy fatty acids also occur, and very long chain acids of over 30 carbons are found in waxes. GO:0009245 The chemical reactions and pathways resulting in the formation of lipid A, the glycolipid group of bacterial lipopolysaccharides, consisting of four to six fatty acyl chains linked to two glucosamine residues. Further modifications of the backbone are common. GO:0016836 Catalysis of the cleavage of a carbon-oxygen bond by elimination of water.

Target profile

Computed evidence for target prioritization.

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

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 0.822
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

6
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0019171 Catalysis of the reaction: a (3R)-hydroxyacyl-[acyl-carrier-protein] = a (2E)-enoyl-[acyl-carrier-protein] + H2O.
  • GO:0006633 The chemical reactions and pathways resulting in the formation of a fatty acid, any of the aliphatic monocarboxylic acids that can be liberated by hydrolysis from naturally occurring fats and oils. Fatty acids are predominantly straight-chain acids of 4 to 24 carbon atoms, which may be saturated or unsaturated; branched fatty acids and hydroxy fatty acids also occur, and very long chain acids of over 30 carbons are found in waxes.
  • GO:0009245 The chemical reactions and pathways resulting in the formation of lipid A, the glycolipid group of bacterial lipopolysaccharides, consisting of four to six fatty acyl chains linked to two glucosamine residues. Further modifications of the backbone are common.
  • GO:0016836 Catalysis of the cleavage of a carbon-oxygen bond by elimination of water.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records
Show feature table
Start End DB Term Name
2 145 Hamap MF_00406 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ [fabZ].
2 145 InterPro IPR010084 Beta-hydroxyacyl-(acyl-carrier-protein) dehydratase FabZ
11 142 CDD cd01288 FabZ
2 142 NCBIfam TIGR01750 3-hydroxyacyl-ACP dehydratase FabZ
2 142 InterPro IPR010084 Beta-hydroxyacyl-(acyl-carrier-protein) dehydratase FabZ
3 146 Gene3D G3DSA:3.10.129.10 Hotdog Thioesterase
1 146 FunFam G3DSA:3.10.129.10:FF:000001 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ
11 137 Pfam PF07977 FabA-like domain
11 137 InterPro IPR013114 Beta-hydroxydecanoyl thiol ester dehydrase, FabA/FabZ
1 143 PANTHER PTHR30272 3-HYDROXYACYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE
1 143 InterPro IPR013114 Beta-hydroxydecanoyl thiol ester dehydrase, FabA/FabZ
1 142 SUPERFAMILY SSF54637 Thioesterase/thiol ester dehydrase-isomerase
1 142 InterPro IPR029069 HotDog domain superfamily

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

3D visualization script Full viewer

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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 1U1Z
X-ray 2.50 Å A,B,C,D,E,F
100.0% 1-146
PDBe RCSB PDBj File
Viewing
AlphaFold PA3645
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
1 0.822
2 0.394
4 0.293

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 1.83 0.035
2 0.76 0.002

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.

67 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
2BC
3DP0
Q5G940 464.1 Da LogP 4.54 TPSA 81.9 ✓ Ro5 Alert c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br
2BE
3DOY
Q5G940 448.5 Da LogP 4.04 TPSA 81.9 ✓ Ro5 Alert c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Cl
2RB
3DP1
Q5G940 444.1 Da LogP 3.40 TPSA 91.2 ✓ Ro5 Alert COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br
3BE
3DOZ
Q5G940 492.9 Da LogP 4.15 TPSA 81.9 ✓ Ro5 Alert c1cc(cc(c1)Br)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br
4BB
3DP3
Q5G940 470.2 Da LogP 4.68 TPSA 81.9 ✓ Ro5 Alert CC(C)(C)c1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)…
4BE
3DP2
Q5G940 492.9 Da LogP 4.15 TPSA 81.9 ✓ Ro5 Alert c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Br
AGI
3CF9
Q5G940 270.2 Da LogP 2.58 TPSA 90.9 ✓ Ro5 ✓ Clean c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
BDE
2GLP
O25928 415.0 Da LogP 2.78 TPSA 94.8 ✓ Ro5 Alert c1cc(cnc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br
BEN
3B7J
Q5G940 120.2 Da LogP 0.97 TPSA 49.9 ✓ Ro5 ✓ Clean [H]/N=C(\c1ccccc1)/N
EMO
3ED0
Q5G940 270.2 Da LogP 1.89 TPSA 94.8 ✓ Ro5 Alert Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
JUG
3B7J
Q5G940 174.2 Da LogP 1.33 TPSA 54.4 ✓ Ro5 Alert c1cc2c(c(c1)O)C(=O)C=CC2=O
PN7
6IHC
Q5G940 358.4 Da LogP -0.96 TPSA 145.2 1 viol. ✓ Clean CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O
PNS
4ZJB
Q5G940 358.4 Da LogP -0.96 TPSA 145.2 1 viol. ✓ Clean CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
QUE
3CF8
Q5G940 302.2 Da LogP 1.99 TPSA 131.4 ✓ Ro5 Alert c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
SAK
3D04
Q5G940 286.3 Da LogP 2.81 TPSA 76.0 ✓ Ro5 ✓ Clean COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O
SCB
2GLM
O25928 482.9 Da LogP 5.55 TPSA 92.3 1 viol. Alert COCCN1C(=O)C(=Cc2ccc(o2)c3ccc(c(c3)C(=O)O)Cl)SC…
XLN
6N3P
P0A6Q6 456.5 Da LogP 0.34 TPSA 162.3 ✓ Ro5 ✓ Clean CCC/C=C\S(=O)(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(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.