Protein profile

KP13_01286

HTH-type transcriptional regulator treR

Genome: KpKP13

Gene: AHE46648.1 treR Structure source: AlphaFold + ColabFold UniProt A0A0H3GIB7
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Amino acids 315
Annotations 6
Features 28
PDB binders 5
Druggability 0.612

Overview

Basic information about this protein and its source genome.

Accession
KP13_01286
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE46648.1 treR
Status
annotated
Amino acids
315
Structure source
AlphaFold + ColabFold
GO
GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription. GO:0045892 Any process that stops, prevents, or reduces the frequency, rate or extent of cellular DNA-templated transcription. GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid). GO:0005991 The chemical reactions and pathways involving trehalose, a disaccharide that consists of two molecules of glucose and is isomeric with sucrose. GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons. GO:0000976 Binding to a specific sequence of DNA that is part of a regulatory region that controls transcription of that section of the DNA. The transcribed region might be described as a gene, cistron, or operon.

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
Cytoplasmic
ColabFold pLDDT
92.3

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 0.612
Structure A0A0H3GIB7
Pocket Pocket 3
P2Rank 0.908
Structure A0A0H3GIB7
Pocket Pocket 1
ColabFold model
FPocket 0.381 · Pocket 1
P2Rank 0.881 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 92 / 4744 genomes with a hit
Normalized 0.019

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

6
  • GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:0045892 Any process that stops, prevents, or reduces the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
  • GO:0005991 The chemical reactions and pathways involving trehalose, a disaccharide that consists of two molecules of glucose and is isomeric with sucrose.
  • GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons.
  • GO:0000976 Binding to a specific sequence of DNA that is part of a regulatory region that controls transcription of that section of the DNA. The transcribed region might be described as a gene, cistron, or operon.

Sequence Features

Domain/signature hits from InterPro and related databases.

28 records
Show feature table
Start End DB Term Name
8 59 CDD cd01392 HTH_LacI
8 59 InterPro IPR000843 LacI-type HTH domain
6 51 Pfam PF00356 Bacterial regulatory proteins, lacI family
6 51 InterPro IPR000843 LacI-type HTH domain
4 74 SMART SM00354 laci3
4 74 InterPro IPR000843 LacI-type HTH domain
4 314 NCBIfam TIGR02405 trehalose operon repressor TreR
4 314 InterPro IPR012771 Trehalose operon repressor
7 25 ProSitePatterns PS00356 LacI-type HTH domain signature.
3 60 SUPERFAMILY SSF47413 lambda repressor-like DNA-binding domains
3 60 InterPro IPR010982 Lambda repressor-like, DNA-binding domain superfamily
5 313 PANTHER PTHR30146 LACI-RELATED TRANSCRIPTIONAL REPRESSOR
1 61 FunFam G3DSA:1.10.260.40:FF:000021 Trehalose operon repressor
5 59 ProSiteProfiles PS50932 LacI-type HTH domain profile.
5 59 InterPro IPR000843 LacI-type HTH domain
6 16 PRINTS PR00036 LacI bacterial regulatory protein HTH signature
6 16 InterPro IPR000843 LacI-type HTH domain
16 26 PRINTS PR00036 LacI bacterial regulatory protein HTH signature
16 26 InterPro IPR000843 LacI-type HTH domain
63 314 SUPERFAMILY SSF53822 Periplasmic binding protein-like I
63 314 InterPro IPR028082 Periplasmic binding protein-like I
64 311 CDD cd01542 PBP1_TreR-like
67 301 Gene3D G3DSA:3.40.50.2300 -
163 279 Gene3D G3DSA:3.40.50.2300 -
1 61 Gene3D G3DSA:1.10.260.40 -
1 61 InterPro IPR010982 Lambda repressor-like, DNA-binding domain superfamily
168 312 Pfam PF13377 Periplasmic binding protein-like domain
168 312 InterPro IPR046335 Transcriptional regulator LacI/GalR-like, sensor domain

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

Loading 3D structure...

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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_A0A0H3GIB7
AlphaFold — — full sequence — Viewing
ColabFold KP13_01286
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
3 0.612
1 0.176
10 0.008
7 0.0

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 31.21 0.908
2 1.56 0.02

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.

28 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
171
1SXG
P46828 201.2 Da LogP 0.99 TPSA 66.4 ✓ Ro5 ✓ Clean c1ccc(cc1)NCCS(=O)(=O)O
6MP
2PUA
P0ACP7 134.1 Da LogP 0.66 TPSA 54.5 ✓ Ro5 ✓ Clean Cc1c2c(nc[nH]2)ncn1
ADE
2PUB
P0ACP7 135.1 Da LogP -0.06 TPSA 80.5 ✓ Ro5 ✓ Clean c1[nH]c2c(n1)c(ncn2)N
GUN
1WET
P0ACP7 151.1 Da LogP -0.77 TPSA 100.5 ✓ Ro5 ✓ Clean c1[nH]c2c(n1)C(=O)NC(=N2)N
HPA
1BDH
P0ACP7 136.1 Da LogP -0.35 TPSA 74.4 ✓ Ro5 ✓ Clean c1[nH]c2c(n1)N=CNC2=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.