Protein profile

KP13_03269

Acyl-CoA thioester hydrolase

Genome: KpKP13

Gene: AHE45648.1 Structure source: AlphaFold + ColabFold UniProt A0A0W7ZZC7
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Amino acids 134
Annotations 3
Features 16
PDB binders 2
Druggability 0.689

Overview

Basic information about this protein and its source genome.

Accession
KP13_03269
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE45648.1
Status
annotated
Amino acids
134
Structure source
AlphaFold + ColabFold
GO
GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc. GO:0016790 Catalysis of the reaction: RCO-SR' + H2O = RCOOH + HSR'. This reaction is the hydrolysis of a thiolester bond, an ester formed from a carboxylic acid and a thiol (i.e., RCO-SR'), such as that found in acetyl-coenzyme A. GO:0047617 Catalysis of the reaction: a fatty acyl-CoA + H2O = a fatty acid + CoA + H+.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Human identity (%)
0.0
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
94.03
DEG E-value
9.609999999999999e-95
Localization
Cytoplasmic
ColabFold pLDDT
95.75

Selected Druggability evidence

AlphaFold / UniProt model

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 0.689
Structure A0A0W7ZZC7
Pocket Pocket 1
P2Rank 0.095
Structure A0A0W7ZZC7
Pocket Pocket 1
ColabFold model
FPocket 0.086 · Pocket 3
P2Rank 0.032 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 139 / 4744 genomes with a hit
Normalized 0.029

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3
  • GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.
  • GO:0016790 Catalysis of the reaction: RCO-SR' + H2O = RCOOH + HSR'. This reaction is the hydrolysis of a thiolester bond, an ester formed from a carboxylic acid and a thiol (i.e., RCO-SR'), such as that found in acetyl-coenzyme A.
  • GO:0047617 Catalysis of the reaction: a fatty acyl-CoA + H2O = a fatty acid + CoA + H+.

Sequence Features

Domain/signature hits from InterPro and related databases.

16 records
Show feature table
Start End DB Term Name
6 115 CDD cd00586 4HBT
1 134 FunFam G3DSA:3.10.129.10:FF:000004 Tol-pal system-associated acyl-CoA thioesterase
6 132 PANTHER PTHR31793 4-HYDROXYBENZOYL-COA THIOESTERASE FAMILY MEMBER
20 103 Pfam PF03061 Thioesterase superfamily
20 103 InterPro IPR006683 Thioesterase domain
1 134 PIRSF PIRSF003230 YbgC
1 134 InterPro IPR006684 Acyl-CoA thioester hydrolase YbgC/YbaW family
6 130 NCBIfam TIGR02799 tol-pal system-associated acyl-CoA thioesterase
6 130 InterPro IPR014166 Tol-Pal system-associated acyl-CoA thioesterase
11 28 ProSitePatterns PS01328 4-hydroxybenzoyl-CoA thioesterase family active site.
11 28 InterPro IPR008272 4-hydroxybenzoyl-CoA thioesterase, active site
1 134 Gene3D G3DSA:3.10.129.10 Hotdog Thioesterase
9 125 NCBIfam TIGR00051 YbgC/FadM family acyl-CoA thioesterase
9 125 InterPro IPR006684 Acyl-CoA thioester hydrolase YbgC/YbaW family
3 133 SUPERFAMILY SSF54637 Thioesterase/thiol ester dehydrase-isomerase
3 133 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

0 + 2

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

Entry Method Resolution Chain Coverage Links Status
AlphaFold AF_A0A0W7ZZC7
AlphaFold — — full sequence — Viewing
ColabFold KP13_03269
ColabFold — — 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 0.689

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 1.62 0.026
2 1.58 0.025

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.

6 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
HXC
5T06
P0A8Z3 865.7 Da LogP 0.25 TPSA 363.6 3 viol. ✓ Clean CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@…
MFK
5T07
P0A8Z3 921.8 Da LogP 1.81 TPSA 363.6 3 viol. ✓ Clean CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO…

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.