Protein profile

VK055_4417

marR family protein

Genome: KpATCC43816

Gene: AIK82960.1 Structure source: AlphaFold + ColabFold UniProt A0A0W8AS09
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Amino acids 135
Annotations 3
Features 19
PDB binders 5
Druggability 0.623

Overview

Basic information about this protein and its source genome.

Accession
VK055_4417
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK82960.1
Status
annotated
Amino acids
135
Structure source
AlphaFold + ColabFold
GO
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:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription. GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).

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 (%)
36.036
Localization
Cytoplasmic
ColabFold pLDDT
95.41

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 0.623
Structure A0A0W8AS09
Pocket Pocket 9
P2Rank
Structure A0A0W8AS09
Pocket No pockets
ColabFold model
FPocket 0.94 · Pocket 10
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 58 / 4744 genomes with a hit
Normalized 0.012

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: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:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records
Show feature table
Start End DB Term Name
6 133 PANTHER PTHR42756 TRANSCRIPTIONAL REGULATOR, MARR
63 78 PRINTS PR00598 Bacterial regulatory protein MarR family signature
63 78 InterPro IPR000835 MarR-type HTH domain
112 132 PRINTS PR00598 Bacterial regulatory protein MarR family signature
112 132 InterPro IPR000835 MarR-type HTH domain
82 98 PRINTS PR00598 Bacterial regulatory protein MarR family signature
82 98 InterPro IPR000835 MarR-type HTH domain
2 134 SUPERFAMILY SSF46785 Winged helix DNA-binding domain
2 134 InterPro IPR036390 Winged helix DNA-binding domain superfamily
29 85 Pfam PF01047 MarR family
29 85 InterPro IPR000835 MarR-type HTH domain
1 134 Gene3D G3DSA:1.10.10.10 -
1 134 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
4 134 ProSiteProfiles PS50995 MarR-type HTH domain profile.
4 134 InterPro IPR000835 MarR-type HTH domain
61 95 ProSitePatterns PS01117 MarR-type HTH domain signature.
61 95 InterPro IPR023187 Transcriptional regulator MarR-type, conserved site
21 122 SMART SM00347 marrlong4
21 122 InterPro IPR000835 MarR-type HTH 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_A0A0W8AS09
AlphaFold — — full sequence — Viewing
ColabFold VK055_4417
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
10 0.606
2 0.298
1 0.296
3 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.

55 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
4HP
5AIP
Q7DD70 152.1 Da LogP 1.02 TPSA 57.5 ✓ Ro5 ✓ Clean c1cc(ccc1CC(=O)O)O
BHA
5X7Z
P9WME9 153.1 Da LogP 0.67 TPSA 83.5 ✓ Ro5 ✓ Clean c1cc(c(cc1N)O)C(=O)O
DHB
4FHT
Q9XAM6 154.1 Da LogP 0.80 TPSA 77.8 ✓ Ro5 Alert c1cc(c(cc1C(=O)O)O)O
SAL
3BPX
O26413 138.1 Da LogP 1.09 TPSA 57.5 ✓ Ro5 ✓ Clean c1ccc(c(c1)C(=O)O)O
WCA
6C28
Q6N8V9 913.7 Da LogP 0.08 TPSA 383.9 3 viol. ✓ Clean CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([…

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.