Protein profile

VK055_0055

alpha,alpha-trehalose-phosphate synthase

Genome: KpATCC43816

Gene: otsA AIK78683.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GVI4
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Amino acids 474
Annotations 4
Features 16
PDB binders 7
Druggability 0.903

Overview

Basic information about this protein and its source genome.

Accession
VK055_0055
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
otsA AIK78683.1
Status
annotated
Amino acids
474
Structure source
AlphaFold + ColabFold
EC
2.4.1.15
GO
GO:0005992 The chemical reactions and pathways resulting in the formation of trehalose, a disaccharide that consists of two molecules of glucose and is isomeric with sucrose. GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic. GO:0003825 Catalysis of the reaction: UDP-glucose + D-glucose-6-phosphate = UDP + alpha,alpha-trehalose-6-phosphate.

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 (%)
34.304
Localization
Unknown
ColabFold pLDDT
93.25

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 0.903
Structure A0A0H3GVI4
Pocket Pocket 1
P2Rank 0.873
Structure A0A0H3GVI4
Pocket Pocket 1
ColabFold model
FPocket 0.827 · Pocket 30
P2Rank 0.911 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 74 / 4744 genomes with a hit
Normalized 0.016

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 3 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

3
  • GO:0005992 The chemical reactions and pathways resulting in the formation of trehalose, a disaccharide that consists of two molecules of glucose and is isomeric with sucrose.
  • GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.
  • GO:0003825 Catalysis of the reaction: UDP-glucose + D-glucose-6-phosphate = UDP + alpha,alpha-trehalose-6-phosphate.

Sequence Features

Domain/signature hits from InterPro and related databases.

16 records
Show feature table
Start End DB Term Name
3 452 NCBIfam TIGR02400 alpha,alpha-trehalose-phosphate synthase (UDP-forming)
3 452 InterPro IPR012766 Alpha,alpha-trehalose-phosphate synthase
21 42 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
1 20 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
3 460 PANTHER PTHR10788 TREHALOSE-6-PHOSPHATE SYNTHASE
3 460 InterPro IPR001830 Glycosyl transferase, family 20
230 437 FunFam G3DSA:3.40.50.2000:FF:000024 Trehalose-6-phosphate synthase
2 454 SUPERFAMILY SSF53756 UDP-Glycosyltransferase/glycogen phosphorylase
3 452 CDD cd03788 GT20_TPS
3 452 InterPro IPR001830 Glycosyl transferase, family 20
20 449 Gene3D G3DSA:3.40.50.2000 Glycogen Phosphorylase B;
21 43 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
43 474 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
230 437 Gene3D G3DSA:3.40.50.2000 Glycogen Phosphorylase B;
17 452 Pfam PF00982 Glycosyltransferase family 20
17 452 InterPro IPR001830 Glycosyl transferase, family 20

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_A0A0H3GVI4
AlphaFold — — full sequence — Viewing
ColabFold VK055_0055
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 0.903

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 16.45 0.779
2 10.71 0.575

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
ADQ
5K41
G7CGT2 589.3 Da LogP -3.92 TPSA 311.7 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
GDG
5K42
G7CGT2 605.3 Da LogP -4.63 TPSA 331.7 3 viol. ✓ Clean c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O…
NHE
5JIJ
G7CGT2 207.3 Da LogP 0.80 TPSA 66.4 ✓ Ro5 ✓ Clean C1CCC(CC1)NCCS(=O)(=O)O
U2F
1UQT
P31677 568.3 Da LogP -3.82 TPSA 276.8 3 viol. ✓ Clean C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C…
UPG
5HUT
Q92410 566.3 Da LogP -4.79 TPSA 297.0 3 viol. ✓ Clean C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C…
VDM
5HVO
Q4WHW0 335.4 Da LogP -4.58 TPSA 173.9 1 viol. ✓ Clean C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C…
VDO
2WTX
P31677 415.3 Da LogP -4.46 TPSA 220.4 1 viol. ✓ Clean C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=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.