Protein profile

VK055_5005

his Kinase A domain protein

Genome: KpATCC43816

Gene: AIK83531.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3H0M8
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Amino acids 618
Annotations 5
Features 53
PDB binders 3
Druggability 0.887

Overview

Basic information about this protein and its source genome.

Accession
VK055_5005
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK83531.1
Status
annotated
Amino acids
618
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 (%)
41.0
Localization
CytoplasmicMembrane
ColabFold pLDDT
86.78

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 0.887
Structure A0A0H3H0M8
Pocket Pocket 4
P2Rank 0.911
Structure A0A0H3H0M8
Pocket Pocket 1
ColabFold model
FPocket 0.97 · Pocket 1
P2Rank 0.959 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 7 / 4744 genomes with a hit
Normalized 0.001

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.

53 records
Show feature table
Start End DB Term Name
196 215 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
321 343 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
355 374 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
320 342 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
310 320 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
352 374 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
511 615 Pfam PF02518 Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase
511 615 InterPro IPR003594 Histidine kinase/HSP90-like ATPase
18 163 Gene3D G3DSA:2.60.40.2380 -
286 290 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
344 354 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
375 618 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
216 229 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
21 154 Pfam PF07696 7TMR-DISM extracellular 2
21 154 InterPro IPR011622 7TM-DISM receptor, extracellular domain, type 2
291 309 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
167 189 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
398 463 SMART SM00388 HisKA_10
398 463 InterPro IPR003661 Signal transduction histidine kinase, dimerisation/phosphoacceptor domain
508 618 SMART SM00387 HKATPase_4
508 618 InterPro IPR003594 Histidine kinase/HSP90-like ATPase
399 460 Pfam PF00512 His Kinase A (phospho-acceptor) domain
399 460 InterPro IPR003661 Signal transduction histidine kinase, dimerisation/phosphoacceptor domain
368 461 Gene3D G3DSA:1.10.287.130 -
230 251 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
189 194 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
372 392 Coils Coil Coil
602 615 PRINTS PR00344 Bacterial sensor protein C-terminal signature
602 615 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal
578 596 PRINTS PR00344 Bacterial sensor protein C-terminal signature
578 596 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal
544 558 PRINTS PR00344 Bacterial sensor protein C-terminal signature
544 558 InterPro IPR004358 Signal transduction histidine kinase-related protein, C-terminal
453 616 SUPERFAMILY SSF55874 ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase
453 616 InterPro IPR036890 Histidine kinase/HSP90-like ATPase superfamily
516 614 CDD cd00075 HATPase
351 616 PANTHER PTHR43547 TWO-COMPONENT HISTIDINE KINASE
260 282 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
195 215 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
405 618 ProSiteProfiles PS50109 Histidine kinase domain profile.
405 618 InterPro IPR005467 Histidine kinase domain
399 459 CDD cd00082 HisKA
399 459 InterPro IPR003661 Signal transduction histidine kinase, dimerisation/phosphoacceptor domain
263 285 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
252 262 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
286 308 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
1 167 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
472 618 Gene3D G3DSA:3.30.565.10 -
472 618 InterPro IPR036890 Histidine kinase/HSP90-like ATPase superfamily
168 188 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
388 463 SUPERFAMILY SSF47384 Homodimeric domain of signal transducing histidine kinase
388 463 InterPro IPR036097 Signal transduction histidine kinase, dimerisation/phosphoacceptor domain superfamily
230 247 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.

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_A0A0H3H0M8
AlphaFold — — full sequence — Viewing
ColabFold VK055_5005
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
4 0.887
3 0.637
1 0.216

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 22.95 0.885
2 16.85 0.789
3 12.09 0.638
4 5.06 0.231
5 3.05 0.101

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.

53 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)…
PG0
5UKV
P71815 120.1 Da LogP -0.36 TPSA 38.7 ✓ Ro5 ✓ Clean COCCOCCO
RDC
3CGY
P0DM80 364.8 Da LogP 2.69 TPSA 96.4 ✓ Ro5 ✓ Clean C[C@@H]1C[C@@H]2[C@H](O2)\C=C/C=C/C(=O)Cc3c(c(c…

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.