Protein profile

KP13_03763

putative HTH-type transcriptional regulator

Genome: KpKP13

Gene: AHE43700.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GV67
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Amino acids 296
Annotations 3
Features 13
PDB binders 11
Druggability 0.908

Overview

Basic information about this protein and its source genome.

Accession
KP13_03763
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE43700.1
Status
annotated
Amino acids
296
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: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
88.96

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 0.908
Structure A0A0H3GV67
Pocket Pocket 3
P2Rank 0.359
Structure A0A0H3GV67
Pocket Pocket 1
ColabFold model
FPocket 0.483 · Pocket 3
P2Rank 0.322 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 50 / 4744 genomes with a hit
Normalized 0.011

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: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.

13 records
Show feature table
Start End DB Term Name
95 268 Gene3D G3DSA:3.40.190.290 -
3 60 ProSiteProfiles PS50931 LysR-type HTH domain profile.
3 60 InterPro IPR000847 Transcription regulator HTH, LysR
5 283 PANTHER PTHR30126 HTH-TYPE TRANSCRIPTIONAL REGULATOR
89 268 Pfam PF03466 LysR substrate binding domain
89 268 InterPro IPR005119 LysR, substrate-binding
89 284 SUPERFAMILY SSF53850 Periplasmic binding protein-like II
5 94 Gene3D G3DSA:1.10.10.10 -
5 94 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
5 89 SUPERFAMILY SSF46785 Winged helix DNA-binding domain
5 89 InterPro IPR036390 Winged helix DNA-binding domain superfamily
7 64 Pfam PF00126 Bacterial regulatory helix-turn-helix protein, lysR family
7 64 InterPro IPR000847 Transcription regulator HTH, LysR

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_A0A0H3GV67
AlphaFold — — full sequence — Viewing
ColabFold KP13_03763
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 0.908
1 0.216

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 4.22 0.172

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.

98 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
AKG
5Y2V
P73862 146.1 Da LogP -0.50 TPSA 91.7 ✓ Ro5 ✓ Clean C(CC(=O)O)C(=O)C(=O)O
CZG
6B8A
Q9I4X0 420.5 Da LogP 4.99 TPSA 110.2 ✓ Ro5 ✓ Clean c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3[nH]c4ccc(cc4n3)…
HLH
6Q7U
Q9I4X0 243.4 Da LogP 4.04 TPSA 32.9 ✓ Ro5 ✓ Clean CCCCCCCC1=CC(=O)c2ccccc2N1
HLK
6Q7V
Q9I4X0 285.2 Da LogP 3.43 TPSA 50.9 ✓ Ro5 ✓ Clean c1cc(ccc1CNc2cc(nc(c2)N)C(F)(F)F)F
HLQ
6Q7W
Q9I4X0 313.3 Da LogP 3.87 TPSA 50.9 ✓ Ro5 ✓ Clean c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F
NNQ
4JVD
A0A0H2Z7A6 271.4 Da LogP 4.82 TPSA 32.9 ✓ Ro5 ✓ Clean CCCCCCCCCC1=CC(=O)c2ccccc2N1
OAS
4LQ2
P06614 147.1 Da LogP -1.04 TPSA 89.6 ✓ Ro5 ✓ Clean CC(=O)OC[C@@H](C(=O)O)N
OT2
6YIZ
Q9I4X0 540.6 Da LogP 1.83 TPSA 204.2 1 viol. ✓ Clean c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)…
QZN
4JVI
A0A0H2Z7A6 321.9 Da LogP 4.06 TPSA 60.9 ✓ Ro5 ✓ Clean CCCCCCCCCC1=Nc2cc(ccc2C(=O)N1N)Cl
SAC
4M4G
P06614 147.1 Da LogP -1.43 TPSA 86.6 ✓ Ro5 ✓ Clean CC(=O)N[C@@H](CO)C(=O)O
U7Q
7NBW
Q9I4X0 294.3 Da LogP 3.70 TPSA 24.9 ✓ Ro5 ✓ Clean c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F

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.