Protein profile

KP13_03628

HTH-type transcriptional regulator AcrR

Genome: KpKP13

Gene: AHE45970.1 acrR Structure source: AlphaFold + ColabFold UniProt A0A0H3GKK9
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Amino acids 216
Annotations 5
Features 19
PDB binders 4
Druggability 0.869

Overview

Basic information about this protein and its source genome.

Accession
KP13_03628
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE45970.1 acrR
Status
annotated
Amino acids
216
Structure source
AlphaFold + ColabFold
GO
GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid). 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. GO:0045892 Any process that stops, prevents, or reduces the frequency, rate or extent of cellular DNA-templated transcription. GO:0009410 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus from a xenobiotic, a compound foreign to the organism exposed to it. It may be synthesized by another organism (like ampicilin) or it can be a synthetic chemical.

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
92.64

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 0.869
Structure A0A0H3GKK9
Pocket Pocket 1
P2Rank 0.825
Structure A0A0H3GKK9
Pocket Pocket 1
ColabFold model
FPocket 0.941 · Pocket 1
P2Rank 0.888 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 102 / 4744 genomes with a hit
Normalized 0.022

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:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
  • 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.
  • GO:0045892 Any process that stops, prevents, or reduces the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:0009410 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus from a xenobiotic, a compound foreign to the organism exposed to it. It may be synthesized by another organism (like ampicilin) or it can be a synthetic chemical.

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records
Show feature table
Start End DB Term Name
2 202 PANTHER PTHR30055 HTH-TYPE TRANSCRIPTIONAL REGULATOR RUTR
37 60 PRINTS PR00455 TetR bacterial regulatory protein HTH signature
37 60 InterPro IPR001647 DNA-binding HTH domain, TetR-type
16 29 PRINTS PR00455 TetR bacterial regulatory protein HTH signature
16 29 InterPro IPR001647 DNA-binding HTH domain, TetR-type
84 204 Pfam PF08361 MAATS-type transcriptional repressor, C-terminal region
84 204 InterPro IPR013572 Transcription regulator MAATS, C-terminal
1 68 SUPERFAMILY SSF46689 Homeodomain-like
1 68 InterPro IPR009057 Homeobox-like domain superfamily
1 213 FunFam G3DSA:1.10.357.10:FF:000003 HTH-type transcriptional regulator AcrR
10 70 ProSiteProfiles PS50977 TetR-type HTH domain profile.
10 70 InterPro IPR001647 DNA-binding HTH domain, TetR-type
84 200 SUPERFAMILY SSF48498 Tetracyclin repressor-like, C-terminal domain
84 200 InterPro IPR036271 Tetracyclin repressor-like, C-terminal domain superfamily
16 62 Pfam PF00440 Bacterial regulatory proteins, tetR family
16 62 InterPro IPR001647 DNA-binding HTH domain, TetR-type
28 58 ProSitePatterns PS01081 TetR-type HTH domain signature.
28 58 InterPro IPR023772 DNA-binding HTH domain, TetR-type, conserved site
1 214 Gene3D G3DSA:1.10.357.10 Tetracycline Repressor, domain 2

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_A0A0H3GKK9
AlphaFold — — full sequence — Viewing
ColabFold KP13_03628
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
1 0.869

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 14.85 0.736

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.

45 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
CXS
3VIB
P39897 221.3 Da LogP 1.19 TPSA 66.4 ✓ Ro5 ✓ Clean C1CCC(CC1)NCCCS(=O)(=O)O
DCC
1VI0
P94548 949.8 Da LogP 2.59 TPSA 363.6 3 viol. ✓ Clean CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)…
ST9
3WHC
P94548 1034.0 Da LogP 4.93 TPSA 363.6 3 viol. ✓ Clean CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C…
TCL
3P9T
Q8KLP4 289.5 Da LogP 5.14 TPSA 29.5 1 viol. ✓ Clean c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl

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.