Protein profile

PA4494

sensor histidine kinase RoxS

Genome: NC_002516.2

Gene: roxS PA4494 Structure source: AlphaFold UniProt Q9HVS7
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Amino acids 422
Annotations 7
Features 47
PDB binders 4
Druggability 0.882

Overview

Basic information about this protein and its source genome.

Accession
PA4494
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
roxS PA4494
Status
annotated
Amino acids
422
Structure source
AlphaFold
EC
2.7.13.3
GO
GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. GO:0000155 Catalysis of the phosphorylation of a histidine residue in response to detection of an extracellular signal such as a chemical ligand or change in environment, to initiate a change in cell state or activity. The two-component sensor is a histidine kinase that autophosphorylates a histidine residue in its active site. The phosphate is then transferred to an aspartate residue in a downstream response regulator, to trigger a response. GO:0000160 A conserved series of molecular signals found in prokaryotes and eukaryotes; involves autophosphorylation of a histidine kinase and the transfer of the phosphate group to an aspartate that then acts as a phospho-donor to response regulator proteins. GO:0007165 The cellular process in which a signal is conveyed to trigger a change in the activity or state of a cell. Signal transduction begins with reception of a signal (e.g. a ligand binding to a receptor or receptor activation by a stimulus such as light), or for signal transduction in the absence of ligand, signal-withdrawal or the activity of a constitutively active receptor. Signal transduction ends with regulation of a downstream cellular process, e.g. regulation of transcription or regulation of a metabolic process. Signal transduction covers signaling from receptors located on the surface of the cell and signaling via molecules located within the cell. For signaling between cells, signal transduction is restricted to events at and within the receiving cell. GO:0016310 The process of introducing a phosphate group into a molecule, usually with the formation of a phosphoric ester, a phosphoric anhydride or a phosphoric amide. GO:0016772 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to another (acceptor).

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
CytoplasmicMembrane

Selected Druggability evidence

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 0.882
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

6
  • GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
  • GO:0000155 Catalysis of the phosphorylation of a histidine residue in response to detection of an extracellular signal such as a chemical ligand or change in environment, to initiate a change in cell state or activity. The two-component sensor is a histidine kinase that autophosphorylates a histidine residue in its active site. The phosphate is then transferred to an aspartate residue in a downstream response regulator, to trigger a response.
  • GO:0000160 A conserved series of molecular signals found in prokaryotes and eukaryotes; involves autophosphorylation of a histidine kinase and the transfer of the phosphate group to an aspartate that then acts as a phospho-donor to response regulator proteins.
  • GO:0007165 The cellular process in which a signal is conveyed to trigger a change in the activity or state of a cell. Signal transduction begins with reception of a signal (e.g. a ligand binding to a receptor or receptor activation by a stimulus such as light), or for signal transduction in the absence of ligand, signal-withdrawal or the activity of a constitutively active receptor. Signal transduction ends with regulation of a downstream cellular process, e.g. regulation of transcription or regulation of a metabolic process. Signal transduction covers signaling from receptors located on the surface of the cell and signaling via molecules located within the cell. For signaling between cells, signal transduction is restricted to events at and within the receiving cell.
  • GO:0016310 The process of introducing a phosphate group into a molecule, usually with the formation of a phosphoric ester, a phosphoric anhydride or a phosphoric amide.
  • GO:0016772 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to another (acceptor).

Sequence Features

Domain/signature hits from InterPro and related databases.

47 records
Show feature table
Start End DB Term Name
318 417 Pfam PF02518 Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase
318 417 InterPro IPR003594 Histidine kinase/HSP90-like ATPase
103 122 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
1 19 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
211 270 Pfam PF00512 His Kinase A (phospho-acceptor) domain
211 270 InterPro IPR003661 Signal transduction histidine kinase, dimerisation/phosphoacceptor domain
191 269 Gene3D G3DSA:1.10.287.130 -
207 273 SMART SM00388 HisKA_10
207 273 InterPro IPR003661 Signal transduction histidine kinase, dimerisation/phosphoacceptor domain
98 102 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
20 38 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
44 67 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
180 422 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
266 417 SUPERFAMILY SSF55874 ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase
266 417 InterPro IPR036890 Histidine kinase/HSP90-like ATPase superfamily
79 97 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
158 179 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
19 38 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
39 43 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
247 278 Coils Coil Coil
120 142 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
205 271 SUPERFAMILY SSF47384 Homodimeric domain of signal transducing histidine kinase
205 271 InterPro IPR036097 Signal transduction histidine kinase, dimerisation/phosphoacceptor domain superfamily
273 419 Gene3D G3DSA:3.30.565.10 -
273 419 InterPro IPR036890 Histidine kinase/HSP90-like ATPase superfamily
129 146 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
17 419 PANTHER PTHR45436 SENSOR HISTIDINE KINASE YKOH
147 157 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
43 65 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
68 78 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
315 419 SMART SM00387 HKATPase_4
315 419 InterPro IPR003594 Histidine kinase/HSP90-like ATPase
214 419 ProSiteProfiles PS50109 Histidine kinase domain profile.
214 419 InterPro IPR005467 Histidine kinase domain
78 100 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
217 264 CDD cd00082 HisKA
217 264 InterPro IPR003661 Signal transduction histidine kinase, dimerisation/phosphoacceptor domain
123 128 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
155 177 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
350 364 PRINTS PR00344 Bacterial sensor protein C-terminal signature
350 364 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal
379 397 PRINTS PR00344 Bacterial sensor protein C-terminal signature
379 397 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal
403 416 PRINTS PR00344 Bacterial sensor protein C-terminal signature
403 416 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal
368 378 PRINTS PR00344 Bacterial sensor protein C-terminal signature
368 378 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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Structural evidence

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Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
AlphaFold PA4494
AlphaFold — — full sequence — Viewing
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
2 0.882
1 0.418

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.

54 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
ANP
4BIW
P0AE82 506.2 Da LogP -2.06 TPSA 281.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
C2E
5IDM
Q9X688 690.4 Da LogP -3.05 TPSA 349.6 3 viol. ✓ Clean c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O…
EMC
3A0W
Q9X180 229.7 Da LogP 0.97 TPSA 0.0 ✓ Ro5 ✓ Clean CC[Hg+]
EMT
3A0W
Q9X180 382.8 Da LogP 2.91 TPSA 37.3 ✓ Ro5 ✓ Clean CC[Hg]Sc1ccccc1C(=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.