Protein profile

KP13_05566

LysR family transcriptional regulator

Genome: KpKP13

Gene: AHE44572.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GPW5
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Amino acids 302
Annotations 4
Features 15
PDB binders 9
Druggability 0.935

Overview

Basic information about this protein and its source genome.

Accession
KP13_05566
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE44572.1
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:0043565 Binding to DNA of a specific nucleotide composition, e.g. GC-rich DNA binding, or with a specific sequence motif or type of DNA e.g. promotor binding or rDNA binding. GO:0006351 The synthesis of an RNA transcript from a DNA template.

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
92.84

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 0.935
Structure A0A0H3GPW5
Pocket Pocket 2
P2Rank 0.678
Structure A0A0H3GPW5
Pocket Pocket 1
ColabFold model
FPocket 0.823 · Pocket 3
P2Rank 0.818 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 8 / 4744 genomes with a hit
Normalized 0.002

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

4
  • 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:0043565 Binding to DNA of a specific nucleotide composition, e.g. GC-rich DNA binding, or with a specific sequence motif or type of DNA e.g. promotor binding or rDNA binding.
  • GO:0006351 The synthesis of an RNA transcript from a DNA template.

Sequence Features

Domain/signature hits from InterPro and related databases.

15 records
Show feature table
Start End DB Term Name
7 63 ProSiteProfiles PS50931 LysR-type HTH domain profile.
7 63 InterPro IPR000847 Transcription regulator HTH, LysR
6 89 FunFam G3DSA:1.10.10.10:FF:000001 LysR family transcriptional regulator
91 297 Gene3D G3DSA:3.40.190.290 -
10 67 Pfam PF00126 Bacterial regulatory helix-turn-helix protein, lysR family
10 67 InterPro IPR000847 Transcription regulator HTH, LysR
94 297 SUPERFAMILY SSF53850 Periplasmic binding protein-like II
93 297 Pfam PF03466 LysR substrate binding domain
93 297 InterPro IPR005119 LysR, substrate-binding
3 87 SUPERFAMILY SSF46785 Winged helix DNA-binding domain
3 87 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
8 297 PANTHER PTHR30537 HTH-TYPE TRANSCRIPTIONAL REGULATOR
94 294 CDD cd08474 PBP2_CrgA_like_5

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_A0A0H3GPW5
AlphaFold — — full sequence — Viewing
ColabFold KP13_05566
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
2 0.935

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 10.94 0.587
2 4.67 0.204

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.

59 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
1PS
6G1B
Q8NP91 201.2 Da LogP -0.09 TPSA 61.1 ✓ Ro5 ✓ Clean c1cc[n+](cc1)CCCS(=O)(=O)[O-]
AKG
5Y2V
P73862 146.1 Da LogP -0.50 TPSA 91.7 ✓ Ro5 ✓ Clean C(CC(=O)O)C(=O)C(=O)O
BEZ
2F7A
O68014 122.1 Da LogP 1.38 TPSA 37.3 ✓ Ro5 ✓ Clean c1ccc(cc1)C(=O)O
FOR
6G1D
Q8NP91 30.0 Da LogP -0.18 TPSA 17.1 ✓ Ro5 ✓ Clean C=O
MLI
4IHS
O68014 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=O)[O-]
PEO
6G1B
Q8NP91 34.0 Da LogP 0.02 TPSA 40.5 ✓ Ro5 ✓ Clean OO
PEU
2Y7P
Q7WT50 1221.5 Da LogP 0.06 TPSA 269.4 2 viol. ✓ Clean COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO…
RUB
5Z49
Q9F1R2 310.1 Da LogP -2.50 TPSA 191.0 1 viol. ✓ Clean C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
SAL
2Y7K
Q7WT50 138.1 Da LogP 1.09 TPSA 57.5 ✓ Ro5 ✓ Clean c1ccc(c(c1)C(=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.