Protein profile

KP13_02490

Homoprotocatechuate degradative operon repressor

Genome: KpKP13

Gene: hpcR AHE46500.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GHU0
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Amino acids 146
Annotations 5
Features 23
PDB binders 12
Druggability 0.27

Overview

Basic information about this protein and its source genome.

Accession
KP13_02490
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
hpcR AHE46500.1
Status
annotated
Amino acids
146
Structure source
AlphaFold + ColabFold
GO
GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription. GO:0045892 Any process that stops, prevents, or reduces 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). 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:0006950 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 disturbance in organismal or cellular homeostasis, usually, but not necessarily, exogenous (e.g. temperature, humidity, ionizing radiation).

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 (%)
57.851
DEG E-value
8.939999999999999e-48
Localization
Cytoplasmic
ColabFold pLDDT
91.28

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 0.27
Structure A0A0H3GHU0
Pocket Pocket 13
P2Rank 0.362
Structure A0A0H3GHU0
Pocket Pocket 1
ColabFold model
FPocket 0.662 · Pocket 1
P2Rank 0.312 · Pocket 1
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 68 / 4744 genomes with a hit
Normalized 0.014

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:0045892 Any process that stops, prevents, or reduces 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).
  • 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:0006950 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 disturbance in organismal or cellular homeostasis, usually, but not necessarily, exogenous (e.g. temperature, humidity, ionizing radiation).

Sequence Features

Domain/signature hits from InterPro and related databases.

23 records
Show feature table
Start End DB Term Name
61 95 ProSitePatterns PS01117 MarR-type HTH domain signature.
61 95 InterPro IPR023187 Transcriptional regulator MarR-type, conserved site
2 134 ProSiteProfiles PS50995 MarR-type HTH domain profile.
2 134 InterPro IPR000835 MarR-type HTH domain
22 122 SMART SM00347 marrlong4
22 122 InterPro IPR000835 MarR-type HTH domain
5 133 PANTHER PTHR33164 TRANSCRIPTIONAL REGULATOR, MARR FAMILY
5 133 InterPro IPR039422 Transcription regulators MarR/SlyA-like
1 134 FunFam G3DSA:1.10.10.10:FF:000301 Homoprotocatechuate degradation operon regulator HpaR
1 134 Gene3D G3DSA:1.10.10.10 -
1 134 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
4 133 NCBIfam TIGR02337 homoprotocatechuate degradation operon regulator, HpaR
4 133 InterPro IPR012712 HTH-type transcriptional regulator HpaR/FarR
3 134 SUPERFAMILY SSF46785 Winged helix DNA-binding domain
3 134 InterPro IPR036390 Winged helix DNA-binding domain superfamily
82 98 PRINTS PR00598 Bacterial regulatory protein MarR family signature
82 98 InterPro IPR000835 MarR-type HTH domain
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
29 86 Pfam PF01047 MarR family
29 86 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_A0A0H3GHU0
AlphaFold — — full sequence — Viewing
ColabFold KP13_02490
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
13 0.27
2 0.251

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 7.19 0.374

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.

62 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
3IB
7KIG
C5CSP2 203.2 Da LogP 2.58 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CCCC(=O)O
4HP
5AIP
Q7DD70 152.1 Da LogP 1.02 TPSA 57.5 ✓ Ro5 ✓ Clean c1cc(ccc1CC(=O)O)O
BEZ
7KFS
C5CSP2 122.1 Da LogP 1.38 TPSA 37.3 ✓ Ro5 ✓ Clean c1ccc(cc1)C(=O)O
CAQ
7KK0
C5CSP2 110.1 Da LogP 1.10 TPSA 40.5 ✓ Ro5 Alert c1ccc(c(c1)O)O
CFA
7KKI
C5CSP2 221.0 Da LogP 2.46 TPSA 46.5 ✓ Ro5 ✓ Clean c1cc(c(cc1Cl)Cl)OCC(=O)O
HID
7KKC
C5CSP2 191.2 Da LogP 1.50 TPSA 73.3 ✓ Ro5 ✓ Clean c1cc2c(cc1O)c(c[nH]2)CC(=O)O
IAC
7KFO
C5CSP2 175.2 Da LogP 1.79 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CC(=O)O
ICO
7KFQ
C5CSP2 161.2 Da LogP 1.87 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)C(=O)O
IOP
7KH3
C5CSP2 189.2 Da LogP 2.19 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CCC(=O)O
KAN
4EM0
Q6GEG9 484.5 Da LogP -7.29 TPSA 282.6 2 viol. ✓ Clean C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@…
SAL
7KJL
C5CSP2 138.1 Da LogP 1.09 TPSA 57.5 ✓ Ro5 ✓ Clean c1ccc(c(c1)C(=O)O)O
WOM
7KJQ
C5CSP2 241.5 Da LogP 2.32 TPSA 76.2 ✓ Ro5 ✓ Clean c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)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.