Protein profile

VK055_2520

histidine kinase-, DNA gyrase B-, and HSP90-likeATPase family protein

Genome: KpATCC43816

Gene: AIK81117.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GRK7
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Amino acids 541
Annotations 4
Features 44
PDB binders 3
Druggability 0.933

Overview

Basic information about this protein and its source genome.

Accession
VK055_2520
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK81117.1
Status
annotated
Amino acids
541
Structure source
AlphaFold + ColabFold
GO
GO:0016772 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to another (acceptor). 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: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: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.

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 (%)
39.474
Localization
CytoplasmicMembrane
ColabFold pLDDT
87.59

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 0.933
Structure A0A0H3GRK7
Pocket Pocket 7
P2Rank 0.777
Structure A0A0H3GRK7
Pocket Pocket 1
ColabFold model
FPocket 0.916 · Pocket 5
P2Rank 0.795 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 48 / 4744 genomes with a hit
Normalized 0.01

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

4
  • GO:0016772 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to another (acceptor).
  • 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: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: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.

Sequence Features

Domain/signature hits from InterPro and related databases.

44 records
Show feature table
Start End DB Term Name
210 278 SMART SM00091 pas_2
210 278 InterPro IPR000014 PAS domain
34 159 Pfam PF17203 Single cache domain 3
34 159 InterPro IPR033463 Single cache domain 3
168 190 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
394 526 SUPERFAMILY SSF55874 ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase
394 526 InterPro IPR036890 Histidine kinase/HSP90-like ATPase superfamily
477 487 PRINTS PR00344 Bacterial sensor protein C-terminal signature
477 487 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal
459 473 PRINTS PR00344 Bacterial sensor protein C-terminal signature
459 473 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal
489 507 PRINTS PR00344 Bacterial sensor protein C-terminal signature
489 507 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal
513 526 PRINTS PR00344 Bacterial sensor protein C-terminal signature
513 526 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal
197 312 Gene3D G3DSA:3.30.450.20 PAS domain
423 526 CDD cd16915 HATPase_DpiB-CitA-like
1 8 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
396 529 ProSiteProfiles PS50109 Histidine kinase domain profile.
396 529 InterPro IPR005467 Histidine kinase domain
313 374 Gene3D G3DSA:1.10.287.130 -
321 372 Pfam PF14689 Sensor_kinase_SpoOB-type, alpha-helical domain
321 372 InterPro IPR039506 SpoOB, alpha-helical domain
221 275 CDD cd00130 PAS
221 275 InterPro IPR000014 PAS domain
32 160 Gene3D G3DSA:3.30.450.20 PAS domain
210 311 SUPERFAMILY SSF55785 PYP-like sensor domain (PAS domain)
210 311 InterPro IPR035965 PAS domain superfamily
9 30 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
388 532 Gene3D G3DSA:3.30.565.10 -
388 532 InterPro IPR036890 Histidine kinase/HSP90-like ATPase superfamily
34 164 SUPERFAMILY SSF103190 Sensory domain-like
34 164 InterPro IPR029151 Periplasmic sensor-like domain superfamily
322 372 SUPERFAMILY SSF55890 Sporulation response regulatory protein Spo0B
322 372 InterPro IPR016120 Signal transduction histidine kinase, sporulation regulator SpoOB
10 30 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
418 529 SMART SM00387 HKATPase_4
418 529 InterPro IPR003594 Histidine kinase/HSP90-like ATPase
421 527 Pfam PF02518 Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase
421 527 InterPro IPR003594 Histidine kinase/HSP90-like ATPase
31 167 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
168 189 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
190 541 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
420 529 PANTHER PTHR45436 SENSOR HISTIDINE KINASE YKOH

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_A0A0H3GRK7
AlphaFold — — full sequence — Viewing
ColabFold VK055_2520
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
7 0.933
2 0.585
1 0.21

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 10.49 0.564
2 10.0 0.538
3 2.54 0.072
4 1.12 0.008

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.

20 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
FLC
1P0Z
P52687 189.1 Da LogP -5.25 TPSA 140.6 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
MO7
1P0Z
P52687 — — — [O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[M…
OMO
1P0Z
P52687 146.0 Da LogP -1.24 TPSA 57.5 ✓ Ro5 ✓ Clean O[Mo+6](=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.