Protein profile

VK055_1596

his Kinase A domain protein

Genome: KpATCC43816

Gene: AIK80216.1 Structure source: AlphaFold + ColabFold UniProt A0A378BPV1
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Amino acids 211
Annotations 5
Features 26
PDB binders 4
Druggability 0.425

Overview

Basic information about this protein and its source genome.

Accession
VK055_1596
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK80216.1
Status
annotated
Amino acids
211
Structure source
AlphaFold + ColabFold
EC
2.7.13.3
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: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.

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 (%)
35.0
Localization
CytoplasmicMembrane
ColabFold pLDDT
87.75

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 0.425
Structure A0A378BPV1
Pocket Pocket 15
P2Rank 0.752
Structure A0A378BPV1
Pocket Pocket 1
ColabFold model
FPocket 0.958 · Pocket 2
P2Rank 0.705 · Pocket 1
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 61 / 4744 genomes with a hit
Normalized 0.013

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Enzyme Commission (EC)

1

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: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.

Sequence Features

Domain/signature hits from InterPro and related databases.

26 records
Show feature table
Start End DB Term Name
1 57 SMART SM00388 HisKA_10
1 57 InterPro IPR003661 Signal transduction histidine kinase, dimerisation/phosphoacceptor domain
1 57 Pfam PF00512 His Kinase A (phospho-acceptor) domain
197 210 PRINTS PR00344 Bacterial sensor protein C-terminal signature
197 210 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal
174 192 PRINTS PR00344 Bacterial sensor protein C-terminal signature
174 192 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal
140 154 PRINTS PR00344 Bacterial sensor protein C-terminal signature
140 154 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal
105 211 Pfam PF02518 Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase
105 211 InterPro IPR003594 Histidine kinase/HSP90-like ATPase
103 211 SMART SM00387 HKATPase_4
103 211 InterPro IPR003594 Histidine kinase/HSP90-like ATPase
62 211 Gene3D G3DSA:3.30.565.10 -
62 211 InterPro IPR036890 Histidine kinase/HSP90-like ATPase superfamily
1 211 PANTHER PTHR43547 TWO-COMPONENT HISTIDINE KINASE
47 211 SUPERFAMILY SSF55874 ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase
47 211 InterPro IPR036890 Histidine kinase/HSP90-like ATPase superfamily
1 211 ProSiteProfiles PS50109 Histidine kinase domain profile.
1 211 InterPro IPR005467 Histidine kinase domain
108 208 CDD cd00075 HATPase
1 58 SUPERFAMILY SSF47384 Homodimeric domain of signal transducing histidine kinase
1 58 InterPro IPR036097 Signal transduction histidine kinase, dimerisation/phosphoacceptor domain superfamily
1 53 CDD cd00082 HisKA
1 53 InterPro IPR003661 Signal transduction histidine kinase, dimerisation/phosphoacceptor domain
1 58 Gene3D G3DSA:1.10.287.130 -

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_A0A378BPV1
AlphaFold — — full sequence — Viewing
ColabFold VK055_1596
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 0.182
13 0.004
2 0.0
5 0.0

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 18.47 0.752
2 1.04 0.006

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
6QRJ
Q9ABT2 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)…
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
PG0
5UKV
P71815 120.1 Da LogP -0.36 TPSA 38.7 ✓ Ro5 ✓ Clean COCCOCCO

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.