Protein profile

VK055_4202

bacterial regulatory, luxR family protein

Genome: KpATCC43816

Gene: AIK82747.1 Structure source: AlphaFold + ColabFold UniProt A0A2L1BU45
Export view
Amino acids 211
Annotations 3
Features 31
PDB binders 4
Druggability 0.655

Overview

Basic information about this protein and its source genome.

Accession
VK055_4202
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK82747.1
Status
annotated
Amino acids
211
Structure source
AlphaFold + ColabFold
GO
GO:0006355 Any process that modulates 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:0000160 A conserved series of molecular signals found in prokaryotes and eukaryotes; involves autophosphorylation of a histidine kinase and the transfer of the phosphate group to an aspartate that then acts as a phospho-donor to response regulator proteins.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Human identity (%)
0.0
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
65.686
DEG E-value
1.0799999999999999e-94
Localization
Cytoplasmic
ColabFold pLDDT
92.91

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 0.655
Structure A0A2L1BU45
Pocket Pocket 4
P2Rank 0.11
Structure A0A2L1BU45
Pocket Pocket 1
ColabFold model
FPocket 0.413 · Pocket 5
P2Rank 0.157 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 21 / 4744 genomes with a hit
Normalized 0.004

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:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
  • GO:0000160 A conserved series of molecular signals found in prokaryotes and eukaryotes; involves autophosphorylation of a histidine kinase and the transfer of the phosphate group to an aspartate that then acts as a phospho-donor to response regulator proteins.

Sequence Features

Domain/signature hits from InterPro and related databases.

31 records
Show feature table
Start End DB Term Name
139 211 Gene3D G3DSA:1.10.10.10 -
139 211 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
149 205 Pfam PF00196 Bacterial regulatory proteins, luxR family
149 205 InterPro IPR000792 Transcription regulator LuxR, C-terminal
144 209 ProSiteProfiles PS50043 LuxR-type HTH domain profile.
144 209 InterPro IPR000792 Transcription regulator LuxR, C-terminal
2 207 PANTHER PTHR45566 HTH-TYPE TRANSCRIPTIONAL REGULATOR YHJB-RELATED
8 120 SMART SM00448 REC_2
8 120 InterPro IPR001789 Signal transduction response regulator, receiver domain
165 192 ProSitePatterns PS00622 LuxR-type HTH domain signature.
165 192 InterPro IPR000792 Transcription regulator LuxR, C-terminal
9 124 ProSiteProfiles PS50110 Response regulatory domain profile.
9 124 InterPro IPR001789 Signal transduction response regulator, receiver domain
143 209 SUPERFAMILY SSF46894 C-terminal effector domain of the bipartite response regulators
143 209 InterPro IPR016032 Signal transduction response regulator, C-terminal effector
148 205 SMART SM00421 luxrmega5
148 205 InterPro IPR000792 Transcription regulator LuxR, C-terminal
181 193 PRINTS PR00038 LuxR bacterial regulatory protein HTH signature
181 193 InterPro IPR000792 Transcription regulator LuxR, C-terminal
151 165 PRINTS PR00038 LuxR bacterial regulatory protein HTH signature
151 165 InterPro IPR000792 Transcription regulator LuxR, C-terminal
165 181 PRINTS PR00038 LuxR bacterial regulatory protein HTH signature
165 181 InterPro IPR000792 Transcription regulator LuxR, C-terminal
11 125 CDD cd17535 REC_NarL-like
8 138 Gene3D G3DSA:3.40.50.2300 -
151 207 CDD cd06170 LuxR_C_like
151 207 InterPro IPR000792 Transcription regulator LuxR, C-terminal
11 120 Pfam PF00072 Response regulator receiver domain
11 120 InterPro IPR001789 Signal transduction response regulator, receiver domain
8 130 SUPERFAMILY SSF52172 CheY-like
8 130 InterPro IPR011006 CheY-like superfamily

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...

Legend High Medium Low

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_A0A2L1BU45
AlphaFold — — full sequence — Viewing
ColabFold VK055_4202
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
4 0.655
11 0.023
1 0.022
8 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 3.65 0.11
2 1.43 0.015

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.

54 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
15P
1DBW
P10958 1529.8 Da LogP 0.17 TPSA 334.1 2 viol. ✓ Clean COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO…
4QT
4ZMS
Q8DNC2 393.8 Da LogP 3.26 TPSA 84.9 ✓ Ro5 ✓ Clean c1(c(c(c(c(c1Br)OO)Br)OO)Br)N
BEF
4LDZ
O34723 66.0 Da LogP 0.88 TPSA 0.0 ✓ Ro5 ✓ Clean [Be-](F)(F)F
PE4
5O8Y
P58663 354.4 Da LogP 0.11 TPSA 84.8 ✓ Ro5 ✓ Clean CCOCCOCCOCCOCCOCCOCCOCCO

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.