Protein profile

KP13_32196

HTH-type transcriptional regulator MetR

Genome: KpKP13

Gene: AHE46970.1 Structure source: AlphaFold + ColabFold UniProt A0A0W8ACR5
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Amino acids 317
Annotations 5
Features 24
PDB binders 7
Druggability 0.3

Overview

Basic information about this protein and its source genome.

Accession
KP13_32196
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE46970.1
Status
annotated
Amino acids
317
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:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. 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. GO:0009086 OBSOLETE. The chemical reactions and pathways resulting in the de novo formation of L-methionine (2-amino-4-(methylthio)butanoic acid), a sulfur-containing, essential amino acid found in peptide linkage in 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 (%)
48.352
DEG E-value
6.149999999999999e-82
Localization
Cytoplasmic
ColabFold pLDDT
87.23

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 0.3
Structure A0A0W8ACR5
Pocket Pocket 23
P2Rank 0.754
Structure A0A0W8ACR5
Pocket Pocket 1
ColabFold model
FPocket 0.685 · Pocket 2
P2Rank 0.756 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
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: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: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.
  • GO:0009086 OBSOLETE. The chemical reactions and pathways resulting in the de novo formation of L-methionine (2-amino-4-(methylthio)butanoic acid), a sulfur-containing, essential amino acid found in peptide linkage in proteins.

Sequence Features

Domain/signature hits from InterPro and related databases.

24 records
Show feature table
Start End DB Term Name
1 87 Gene3D G3DSA:1.10.10.10 -
1 87 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
1 292 PANTHER PTHR30126 HTH-TYPE TRANSCRIPTIONAL REGULATOR
2 109 SUPERFAMILY SSF46785 Winged helix DNA-binding domain
2 109 InterPro IPR036390 Winged helix DNA-binding domain superfamily
2 59 ProSiteProfiles PS50931 LysR-type HTH domain profile.
2 59 InterPro IPR000847 Transcription regulator HTH, LysR
88 164 Gene3D G3DSA:3.40.190.10 -
4 63 Pfam PF00126 Bacterial regulatory helix-turn-helix protein, lysR family
4 63 InterPro IPR000847 Transcription regulator HTH, LysR
165 263 Gene3D G3DSA:3.40.190.10 -
1 90 FunFam G3DSA:1.10.10.10:FF:000247 HTH-type transcriptional regulator MetR
86 288 Pfam PF03466 LysR substrate binding domain
86 288 InterPro IPR005119 LysR, substrate-binding
293 317 MobiDBLite mobidb-lite consensus disorder prediction
19 30 PRINTS PR00039 LysR bacterial regulatory protein HTH signature
19 30 InterPro IPR000847 Transcription regulator HTH, LysR
30 40 PRINTS PR00039 LysR bacterial regulatory protein HTH signature
30 40 InterPro IPR000847 Transcription regulator HTH, LysR
40 51 PRINTS PR00039 LysR bacterial regulatory protein HTH signature
40 51 InterPro IPR000847 Transcription regulator HTH, LysR
87 291 SUPERFAMILY SSF53850 Periplasmic binding protein-like II
90 285 CDD cd08441 PBP2_MetR
90 285 InterPro IPR037406 HTH-type transcriptional regulator MetR, PBP2 domain

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_A0A0W8ACR5
AlphaFold — — full sequence — Viewing
ColabFold KP13_32196
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
23 0.3
3 0.268

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 12.97 0.67
2 1.45 0.019

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
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
CCU
3GLB
P07774 142.1 Da LogP 0.27 TPSA 74.6 ✓ Ro5 ✓ Clean C(=C/C(=O)O)/C=C\C(=O)O
MLI
4IHS
O68014 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=O)[O-]
OAS
4LQ2
P06614 147.1 Da LogP -1.04 TPSA 89.6 ✓ Ro5 ✓ Clean CC(=O)OC[C@@H](C(=O)O)N
SAC
4M4G
P06614 147.1 Da LogP -1.43 TPSA 86.6 ✓ Ro5 ✓ Clean CC(=O)N[C@@H](CO)C(=O)O
SKM
5TED
Q8Y9N7 174.2 Da LogP -1.52 TPSA 98.0 ✓ Ro5 ✓ Clean C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)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.