Overview
Basic information about this protein and its source genome.
- Accession
- KP13_01951
- Gene
- AHE46390.1 citA
- Status
- annotated
- Amino acids
- 541
- Structure source
- AlphaFold + ColabFold
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 (%)
- 0.0
- Localization
- CytoplasmicMembrane
- ColabFold pLDDT
- 86.78
Selected Druggability evidence
AlphaFold / UniProt modelSelected 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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
4- 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: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: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.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 421 | 527 | Pfam | PF02518 | Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase |
| 421 | 527 | InterPro | IPR003594 | Histidine kinase/HSP90-like ATPase |
| 388 | 532 | Gene3D | G3DSA:3.30.565.10 | - |
| 388 | 532 | InterPro | IPR036890 | Histidine kinase/HSP90-like ATPase superfamily |
| 396 | 529 | ProSiteProfiles | PS50109 | Histidine kinase domain profile. |
| 396 | 529 | InterPro | IPR005467 | Histidine kinase domain |
| 210 | 311 | SUPERFAMILY | SSF55785 | PYP-like sensor domain (PAS domain) |
| 210 | 311 | InterPro | IPR035965 | PAS domain superfamily |
| 418 | 529 | SMART | SM00387 | HKATPase_4 |
| 418 | 529 | InterPro | IPR003594 | Histidine kinase/HSP90-like ATPase |
| 210 | 278 | SMART | SM00091 | pas_2 |
| 210 | 278 | InterPro | IPR000014 | PAS domain |
| 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 |
| 420 | 529 | PANTHER | PTHR45436 | SENSOR HISTIDINE KINASE YKOH |
| 1 | 8 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 32 | 160 | Gene3D | G3DSA:3.30.450.20 | PAS domain |
| 168 | 189 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 34 | 159 | Pfam | PF17203 | Single cache domain 3 |
| 34 | 159 | InterPro | IPR033463 | Single cache domain 3 |
| 313 | 374 | Gene3D | G3DSA:1.10.287.130 | - |
| 10 | 30 | 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 |
| 197 | 312 | Gene3D | G3DSA:3.30.450.20 | PAS domain |
| 221 | 275 | CDD | cd00130 | PAS |
| 221 | 275 | InterPro | IPR000014 | PAS domain |
| 321 | 372 | Pfam | PF14689 | Sensor_kinase_SpoOB-type, alpha-helical domain |
| 321 | 372 | InterPro | IPR039506 | SpoOB, alpha-helical domain |
| 31 | 167 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 190 | 541 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 168 | 190 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 423 | 526 | CDD | cd16915 | HATPase_DpiB-CitA-like |
| 9 | 30 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 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 |
3D Structure
Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.
Loading 3D structure...
Structural evidence
0 + 2Experimental 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
KP13_01951
|
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 |
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 |
|---|---|---|---|---|---|---|---|
| 9 | 0.791 | ||||||
| 15 | 0.659 | ||||||
| 6 | 0.294 | ||||||
| 3 | 0.214 |
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 | 10.44 | 0.561 | ||||||
| 2 | 10.17 | 0.547 | ||||||
| 3 | 3.6 | 0.134 | ||||||
| 4 | 3.16 | 0.107 |
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.
Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.
No PDB structure with a co-crystallized ligand found for this exact protein.
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.
| Ligand | Source crystal | UniProt (homolog) | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| FLC | 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 | P52687 | — | — | — |
[O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[M…
|
|
| OMO | P52687 | 146.0 Da LogP -1.24 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O[Mo+6](=O)O
|
Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL bioactivity data found for this exact protein.
Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL hits found through similar proteins.
Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).
| Ligand | Tanimoto | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| ZINC1532902 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC2018106 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@](O)(CC(=O)O)C(=O)O
|
| ZINC3593496 | 0.652 | 206.2 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC3593497 | 0.652 | 206.2 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C[C@](O)(CC(=O)O)C(=O)O
|
| ZINC14686440 | 0.625 | 436.4 Da LogP -2.64 TPSA 247.9 | 1 viol. | ✓ Clean |
O=C(O)C[C@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=O…
|
| ZINC14686442 | 0.625 | 436.4 Da LogP -2.64 TPSA 247.9 | 1 viol. | ✓ Clean |
O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@](O)(CC(=O…
|
| ZINC14686444 | 0.625 | 436.4 Da LogP -2.64 TPSA 247.9 | 1 viol. | ✓ Clean |
O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=…
|
| ZINC13398039 | 0.577 | 234.2 Da LogP -0.38 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
CC(C)OC(=O)C[C@](O)(CC(=O)O)C(=O)O
|
| ZINC2528012 | 0.577 | 234.2 Da LogP -0.38 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
CC(C)OC(=O)C[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC146315135 | 0.560 | 204.2 Da LogP 0.86 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
CCCCC[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC146315336 | 0.560 | 204.2 Da LogP 0.86 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
CCCCC[C@](O)(CC(=O)O)C(=O)O
|
| ZINC1850353 | 0.556 | 206.1 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC(O)(CC(=O)O)CC(=O)O
|
| ZINC13398014 | 0.522 | 220.2 Da LogP -1.07 TPSA 110.1 | ✓ Ro5 | ✓ Clean |
COC(=O)CC(O)(CC(=O)OC)C(=O)O
|
| ZINC3861629 | 0.522 | 206.1 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C(O)(CC(=O)O)CC(=O)O
|
| ZINC100969993 | 0.500 | 359.5 Da LogP 2.70 TPSA 123.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCNC(=O)C[C@](O)(CC(=O)O)C(=O)O
|
| ZINC100969996 | 0.500 | 359.5 Da LogP 2.70 TPSA 123.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCNC(=O)C[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC1711854 | 0.500 | 248.2 Da LogP -0.13 TPSA 149.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CC(CC(=O)O)(CC(=O)O)CC(=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.