Protein profile

KP13_05489

putative esterase

Genome: KpKP13

Gene: AHE44494.1 Structure source: AlphaFold + ColabFold UniProt W8UZR1
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Amino acids 275
Annotations 2
Features 13
PDB binders 7
Druggability 0.636

Overview

Basic information about this protein and its source genome.

Accession
KP13_05489
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE44494.1
Status
annotated
Amino acids
275
Structure source
AlphaFold + ColabFold
EC
3.1.-.-
GO
GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.

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
Unknown
ColabFold pLDDT
88.3

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 0.636
Structure W8UZR1
Pocket Pocket 1
P2Rank 0.648
Structure W8UZR1
Pocket Pocket 1
ColabFold model
FPocket 0.49 · Pocket 3
P2Rank 0.677 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 7 / 4744 genomes with a hit
Normalized 0.001

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 1 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

1
  • GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records
Show feature table
Start End DB Term Name
30 38 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
21 43 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
1 46 Phobius SIGNAL_PEPTIDE Signal peptide region
39 46 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
54 265 Pfam PF12697 Alpha/beta hydrolase family
54 265 InterPro IPR000073 Alpha/beta hydrolase fold-1
1 29 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
52 273 PANTHER PTHR37017 AB HYDROLASE-1 DOMAIN-CONTAINING PROTEIN-RELATED
47 275 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
48 274 Gene3D G3DSA:3.40.50.1820 alpha/beta hydrolase
48 274 InterPro IPR029058 Alpha/Beta hydrolase fold
53 269 SUPERFAMILY SSF53474 alpha/beta-Hydrolases
53 269 InterPro IPR029058 Alpha/Beta hydrolase fold

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_W8UZR1
AlphaFold — — full sequence — Viewing
ColabFold KP13_05489
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 0.636

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 11.77 0.625
2 1.25 0.012

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.

57 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
2TD
3STW
E0YCS2 196.3 Da LogP 4.27 TPSA 17.1 ✓ Ro5 ✓ Clean CC(=O)CCCCCCCCCC=C
3HO
3STV
E0YCS2 160.2 Da LogP 1.40 TPSA 57.5 ✓ Ro5 ✓ Clean CCCCC[C@@H](CC(=O)O)O
8NL
5Y5R
D0VUS3 422.9 Da LogP 6.66 TPSA 26.3 1 viol. ✓ Clean Cc1c(cccc1c2ccccc2)COC(=O)[C@H]3C(C3(C)C)/C=C(\…
BKA
3STX
E0YCS2 144.2 Da LogP 1.22 TPSA 54.4 ✓ Ro5 ✓ Clean CCCCC(=O)CC(=O)O
DK3
3STU
E0YCS2 230.3 Da LogP 3.05 TPSA 46.5 ✓ Ro5 ✓ Clean CCCCCCCCC[C@@H](CC(=O)OC)O
DKA
3STT
E0YCS2 172.3 Da LogP 3.21 TPSA 37.3 ✓ Ro5 ✓ Clean CCCCCCCCCC(=O)O
PMS
5Y57
D0VUS3 172.2 Da LogP 1.07 TPSA 54.4 ✓ Ro5 ✓ Clean c1ccc(cc1)CS(=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.