Protein profile

KP13_02005

Trp operon repressor

Genome: KpKP13

Gene: AHE46442.1 trpR Structure source: AlphaFold + ColabFold UniProt A0A0H3GRE0
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Amino acids 109
Annotations 5
Features 15
PDB binders 7
Druggability 0.555

Overview

Basic information about this protein and its source genome.

Accession
KP13_02005
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE46442.1 trpR
Status
annotated
Amino acids
109
Structure source
AlphaFold + ColabFold
GO
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: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:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0045892 Any process that stops, prevents, or reduces the frequency, rate or extent of cellular DNA-templated transcription.

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 (%)
63.81
DEG E-value
8.94e-43
Localization
Cytoplasmic
ColabFold pLDDT
91.99

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 0.555
Structure A0A0H3GRE0
Pocket Pocket 9
P2Rank
Structure A0A0H3GRE0
Pocket No pockets
ColabFold model
FPocket 0.77 · Pocket 3
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 116 / 4744 genomes with a hit
Normalized 0.024

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5
  • 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: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:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0045892 Any process that stops, prevents, or reduces the frequency, rate or extent of cellular DNA-templated transcription.

Sequence Features

Domain/signature hits from InterPro and related databases.

15 records
Show feature table
Start End DB Term Name
1 109 Gene3D G3DSA:1.10.1270.10 -
1 109 InterPro IPR038116 TrpR-like superfamily
1 109 PIRSF PIRSF003196 Trp_repressor
1 109 InterPro IPR013335 Trp repressor, bacterial
1 108 FunFam G3DSA:1.10.1270.10:FF:000001 Trp operon repressor
15 108 Hamap MF_00475 Trp operon repressor [trpR].
15 108 InterPro IPR013335 Trp repressor, bacterial
5 104 SUPERFAMILY SSF48295 TrpR-like
5 104 InterPro IPR010921 Trp repressor/replication initiator
12 104 NCBIfam TIGR01321 trp operon repressor
12 104 InterPro IPR013335 Trp repressor, bacterial
12 106 PANTHER PTHR38025 TRP OPERON REPRESSOR
12 106 InterPro IPR013335 Trp repressor, bacterial
17 103 Pfam PF01371 Trp repressor protein
17 103 InterPro IPR000831 Trp repressor

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_A0A0H3GRE0
AlphaFold — — full sequence — Viewing
ColabFold KP13_02005
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 0.547
2 0.03
4 0.006
5 0.001

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.

57 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
3BO
6ELG
P0A881 156.2 Da LogP 2.23 TPSA 39.6 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CC#N
CVW
6F7G
P0A881 174.2 Da LogP 1.98 TPSA 41.8 ✓ Ro5 ✓ Clean Cc1ccc2c(c1)c(c[nH]2)CCN
D0Q
6F9K
P0A881 218.3 Da LogP 1.43 TPSA 79.1 ✓ Ro5 ✓ Clean Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
IAC
6EJW
P0A881 175.2 Da LogP 1.79 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CC(=O)O
IOP
6F7F
P0A881 189.2 Da LogP 2.19 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CCC(=O)O
P3G
6EKP
P0A881 250.3 Da LogP 1.11 TPSA 46.2 ✓ Ro5 ✓ Clean CCOCCOCCOCCOCCOCC
TAM
3SSX
P0A881 163.2 Da LogP -1.17 TPSA 86.7 ✓ Ro5 ✓ Clean C(CO)C(CCO)(CCO)N

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.