Protein profile

KP13_01764

LysR family transcriptional regulator

Genome: KpKP13

Gene: AHE46536.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GHR2
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Amino acids 302
Annotations 3
Features 14
PDB binders 6
Druggability 0.921

Overview

Basic information about this protein and its source genome.

Accession
KP13_01764
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE46536.1
Status
annotated
Amino acids
302
Structure source
AlphaFold + ColabFold
GO
GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription. 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:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).

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
CytoplasmicMembrane
ColabFold pLDDT
92.46

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 0.921
Structure A0A0H3GHR2
Pocket Pocket 3
P2Rank 0.708
Structure A0A0H3GHR2
Pocket Pocket 1
ColabFold model
FPocket 0.605 · Pocket 3
P2Rank 0.735 · Pocket 1
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 26 / 4744 genomes with a hit
Normalized 0.005

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:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
  • 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:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records
Show feature table
Start End DB Term Name
1 300 PANTHER PTHR30118 HTH-TYPE TRANSCRIPTIONAL REGULATOR LEUO-RELATED
9 67 Pfam PF00126 Bacterial regulatory helix-turn-helix protein, lysR family
9 67 InterPro IPR000847 Transcription regulator HTH, LysR
7 64 ProSiteProfiles PS50931 LysR-type HTH domain profile.
7 64 InterPro IPR000847 Transcription regulator HTH, LysR
172 268 Gene3D G3DSA:3.40.190.10 -
97 296 Pfam PF03466 LysR substrate binding domain
97 296 InterPro IPR005119 LysR, substrate-binding
91 293 Gene3D G3DSA:3.40.190.10 -
4 86 SUPERFAMILY SSF46785 Winged helix DNA-binding domain
4 86 InterPro IPR036390 Winged helix DNA-binding domain superfamily
1 89 Gene3D G3DSA:1.10.10.10 -
1 89 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
91 295 SUPERFAMILY SSF53850 Periplasmic binding protein-like II

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_A0A0H3GHR2
AlphaFold — — full sequence — Viewing
ColabFold KP13_01764
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 0.921

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 12.81 0.663
2 2.87 0.091
3 1.37 0.016

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.

56 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
BEZ
2F7A
O68014 122.1 Da LogP 1.38 TPSA 37.3 ✓ Ro5 ✓ Clean c1ccc(cc1)C(=O)O
MLI
4IHS
O68014 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=O)[O-]
PCI
4RPN
P52679 266.3 Da LogP 4.66 TPSA 20.2 ✓ Ro5 ✓ Clean c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O
PEU
2Y7P
Q7WT50 1221.5 Da LogP 0.06 TPSA 269.4 2 viol. ✓ Clean COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO…
SAL
2Y7K
Q7WT50 138.1 Da LogP 1.09 TPSA 57.5 ✓ Ro5 ✓ Clean c1ccc(c(c1)C(=O)O)O
T6C
4RPO
P52679 197.4 Da LogP 3.35 TPSA 20.2 ✓ Ro5 ✓ Clean c1c(cc(c(c1Cl)O)Cl)Cl

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.