Protein profile

KP13_03017

Putative acyl-CoA thioester hydrolase

Genome: KpKP13

Gene: AHE45599.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GK86
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Amino acids 427
Annotations 5
Features 19
PDB binders 1
Druggability 0.687

Overview

Basic information about this protein and its source genome.

Accession
KP13_03017
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE45599.1
Status
annotated
Amino acids
427
Structure source
AlphaFold + ColabFold
EC
3.1.1.11
GO
GO:0042545 The series of events leading to chemical and structural alterations of an existing cell wall that can result in loosening, increased extensibility or disassembly. GO:0030599 Catalysis of the reaction: pectin + n H2O = n methanol + pectate. GO:0009279 A lipid bilayer that forms the outermost membrane of the cell envelope; enriched in polysaccharide and protein; the outer leaflet of the membrane contains specific lipopolysaccharide structures. GO:0045490 The chemical reactions and pathways resulting in the breakdown of pectin, a polymer containing a backbone of alpha-1,4-linked D-galacturonic acid residues.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Human identity (%)
0.0
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
OuterMembrane
ColabFold pLDDT
93.43

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 0.687
Structure A0A0H3GK86
Pocket Pocket 1
P2Rank 0.326
Structure A0A0H3GK86
Pocket Pocket 1
ColabFold model
FPocket 0.617 · Pocket 1
P2Rank 0.292 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 65 / 4744 genomes with a hit
Normalized 0.014

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

4
  • GO:0042545 The series of events leading to chemical and structural alterations of an existing cell wall that can result in loosening, increased extensibility or disassembly.
  • GO:0030599 Catalysis of the reaction: pectin + n H2O = n methanol + pectate.
  • GO:0009279 A lipid bilayer that forms the outermost membrane of the cell envelope; enriched in polysaccharide and protein; the outer leaflet of the membrane contains specific lipopolysaccharide structures.
  • GO:0045490 The chemical reactions and pathways resulting in the breakdown of pectin, a polymer containing a backbone of alpha-1,4-linked D-galacturonic acid residues.

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records
Show feature table
Start End DB Term Name
20 24 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
193 341 Pfam PF01095 Pectinesterase
193 341 InterPro IPR000070 Pectinesterase, catalytic
76 419 SUPERFAMILY SSF51126 Pectin lyase-like
76 419 InterPro IPR011050 Pectin lyase fold/virulence factor
280 289 ProSitePatterns PS00503 Pectinesterase signature 2.
280 289 InterPro IPR033131 Pectinesterase, Asp active site
381 402 MobiDBLite mobidb-lite consensus disorder prediction
1 8 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
9 19 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
1 23 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
82 421 PANTHER PTHR31321 ACYL-COA THIOESTER HYDROLASE YBHC-RELATED
25 427 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 24 Phobius SIGNAL_PEPTIDE Signal peptide region
25 427 Gene3D G3DSA:2.160.20.10 -
25 427 InterPro IPR012334 Pectin lyase fold
1 24 SignalP_EUK SignalP-noTM SignalP-noTM
383 402 MobiDBLite mobidb-lite consensus disorder prediction
1 23 SignalP_GRAM_NEGATIVE SignalP-noTM SignalP-noTM

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_A0A0H3GK86
AlphaFold — — full sequence — Viewing
ColabFold KP13_03017
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 0.687

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 5.38 0.255
2 0.74 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.

20 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
ADA
2NTQ
P0C1A9 194.1 Da LogP -3.13 TPSA 127.5 ✓ Ro5 ✓ Clean [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)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.