Overview
Basic information about this protein and its source genome.
- Accession
- KP13_01979
- Gene
- AHE46417.1 nhaA1
- Status
- annotated
- Amino acids
- 407
- 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)
- Y
- DEG identity (%)
- 84.755
- DEG E-value
- 0.0
- Localization
- CytoplasmicMembrane
- ColabFold pLDDT
- 87.72
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)
5- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0006814 The directed movement of sodium ions (Na+) into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
- GO:0006885 Any process involved in the maintenance of an internal equilibrium of hydrogen ions, thereby modulating the internal pH, within an organism or cell.
- 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:0015385 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: Na+(out) + H+(in) = Na+(in) + H+(out).
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 301 | 305 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 170 | 192 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 32 | 54 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 109 | 131 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 17 | 404 | FunFam | G3DSA:1.20.1530.10:FF:000001 | Na(+)/H(+) antiporter NhaA |
| 141 | 163 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 165 | 169 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 110 | 131 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 368 | 372 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 96 | 109 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 74 | 96 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 192 | 197 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 306 | 328 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 373 | 395 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 196 | 218 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 23 | 45 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 20 | 404 | Hamap | MF_01844 | Na(+)/H(+) antiporter NhaA [nhaA]. |
| 20 | 404 | InterPro | IPR004670 | Na+/H+ antiporter NhaA |
| 75 | 95 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 218 | 222 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 373 | 396 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 231 | 253 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 397 | 407 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 143 | 164 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 23 | 396 | NCBIfam | TIGR00773 | Na+/H+ antiporter NhaA |
| 23 | 396 | InterPro | IPR004670 | Na+/H+ antiporter NhaA |
| 55 | 74 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 1 | 31 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 329 | 343 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 170 | 191 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 344 | 367 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 344 | 366 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 132 | 142 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 223 | 253 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 10 | 401 | PANTHER | PTHR30341 | SODIUM ION/PROTON ANTIPORTER NHAA-RELATED |
| 10 | 401 | InterPro | IPR004670 | Na+/H+ antiporter NhaA |
| 273 | 295 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 198 | 217 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 274 | 300 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 254 | 273 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 17 | 403 | Gene3D | G3DSA:1.20.1530.10 | Na+/H+ antiporter like domain |
| 17 | 403 | InterPro | IPR023171 | Na+/H+ antiporter domain superfamily |
| 302 | 324 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 22 | 396 | Pfam | PF06965 | Na+/H+ antiporter 1 |
| 22 | 396 | InterPro | IPR004670 | Na+/H+ antiporter NhaA |
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_A0A0H3GRG3
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_01979
|
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 |
|---|---|---|---|---|---|---|---|
| 2 | 0.817 | ||||||
| 3 | 0.65 | ||||||
| 1 | 0.401 |
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 | 9.4 | 0.505 | ||||||
| 2 | 6.64 | 0.337 | ||||||
| 3 | 5.91 | 0.29 | ||||||
| 4 | 5.45 | 0.26 | ||||||
| 5 | 5.1 | 0.233 |
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 |
|---|---|---|---|---|---|---|---|
| 1 | 0.936 | ||||||
| 10 | 0.654 | ||||||
| 6 | 0.358 |
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 | 9.84 | 0.528 | ||||||
| 2 | 8.0 | 0.425 | ||||||
| 3 | 5.78 | 0.282 | ||||||
| 4 | 5.2 | 0.241 | ||||||
| 5 | 4.79 | 0.212 |
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.
No PDB ligands found through similar proteins.
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).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| 1PK | P13738 | 6.10 | 183.2 Da LogP 2.21 TPSA 50.4 | ✓ Ro5 | Alert |
c1cc2cccc3c2c(c1)NC(=N3)N
|
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 |
|---|---|---|---|---|---|
| ZINC2541134 | 0.625 | 202.6 Da LogP 3.49 TPSA 24.4 | ✓ Ro5 | Alert |
Clc1nc2cccc3cccc([nH]1)c32
|
| ZINC289554 | 0.625 | 200.3 Da LogP 3.18 TPSA 24.4 | ✓ Ro5 | Alert |
Sc1nc2cccc3cccc([nH]1)c32
|
| ZINC267420 | 0.611 | 259.3 Da LogP 3.93 TPSA 50.4 | ✓ Ro5 | Alert |
Nc1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1
|
| ZINC51935 | 0.579 | 259.3 Da LogP 3.93 TPSA 50.4 | ✓ Ro5 | Alert |
Nc1cccc(-c2nc3cccc4cccc([nH]2)c43)c1
|
| ZINC186916 | 0.571 | 244.3 Da LogP 4.34 TPSA 24.4 | ✓ Ro5 | Alert |
c1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1
|
| ZINC2491925 | 0.571 | 236.2 Da LogP 3.86 TPSA 24.4 | ✓ Ro5 | Alert |
FC(F)(F)c1nc2cccc3cccc([nH]1)c32
|
| ZINC481147 | 0.571 | 210.3 Da LogP 3.95 TPSA 24.4 | ✓ Ro5 | Alert |
CC(C)c1nc2cccc3cccc([nH]1)c32
|
| ZINC1436206 | 0.556 | 212.2 Da LogP 2.38 TPSA 61.7 | ✓ Ro5 | Alert |
O=C(O)c1nc2cccc3cccc([nH]1)c32
|
| ZINC310678 | 0.541 | 262.3 Da LogP 4.48 TPSA 24.4 | ✓ Ro5 | Alert |
Fc1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1
|
| ZINC359231 | 0.541 | 258.3 Da LogP 4.65 TPSA 24.4 | ✓ Ro5 | Alert |
Cc1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1
|
| ZINC5645549 | 0.541 | 210.3 Da LogP 4.10 TPSA 24.4 | ✓ Ro5 | Alert |
CCCc1nc2cccc3cccc([nH]1)c32
|
| ZINC68675255 | 0.541 | 245.3 Da LogP 3.74 TPSA 37.3 | ✓ Ro5 | Alert |
c1cc2cccc3[nH]c(-c4ccncc4)nc(c1)c23
|
| ZINC1607936 | 0.526 | 225.3 Da LogP 2.86 TPSA 27.6 | ✓ Ro5 | Alert |
CN(C)Cc1nc2cccc3cccc([nH]1)c32
|
| ZINC481127 | 0.526 | 258.3 Da LogP 4.54 TPSA 24.4 | ✓ Ro5 | Alert |
c1ccc(Cc2nc3cccc4cccc([nH]2)c43)cc1
|
| ZINC169972490 | 0.513 | 262.3 Da LogP 4.48 TPSA 24.4 | ✓ Ro5 | Alert |
Fc1ccccc1-c1nc2cccc3cccc([nH]1)c32
|
| ZINC169972923 | 0.513 | 258.3 Da LogP 4.65 TPSA 24.4 | ✓ Ro5 | Alert |
Cc1ccccc1-c1nc2cccc3cccc([nH]1)c32
|
| ZINC310112 | 0.513 | 234.3 Da LogP 3.94 TPSA 37.5 | ✓ Ro5 | Alert |
c1coc(-c2nc3cccc4cccc([nH]2)c43)c1
|
| ZINC359233 | 0.513 | 272.4 Da LogP 4.93 TPSA 24.4 | ✓ Ro5 | Alert |
c1ccc(CCc2nc3cccc4cccc([nH]2)c43)cc1
|
| ZINC5037851 | 0.513 | 234.3 Da LogP 3.07 TPSA 53.1 | ✓ Ro5 | Alert |
c1cc2cccc3[nH]c(-c4cnc[nH]4)nc(c1)c23
|
| ZINC169972492 | 0.500 | 262.3 Da LogP 4.48 TPSA 24.4 | ✓ Ro5 | Alert |
Fc1cccc(-c2nc3cccc4cccc([nH]2)c43)c1
|
| ZINC169972921 | 0.500 | 258.3 Da LogP 4.65 TPSA 24.4 | ✓ Ro5 | Alert |
Cc1cccc(-c2nc3cccc4cccc([nH]2)c43)c1
|
| ZINC1718950 | 0.500 | 274.3 Da LogP 4.03 TPSA 44.6 | ✓ Ro5 | Alert |
O[C@@H](c1ccccc1)c1nc2cccc3cccc([nH]1)c32
|
| ZINC2036482 | 0.500 | 274.3 Da LogP 4.03 TPSA 44.6 | ✓ Ro5 | Alert |
O[C@H](c1ccccc1)c1nc2cccc3cccc([nH]1)c32
|
| ZINC4008197 | 0.500 | 274.3 Da LogP 4.35 TPSA 33.6 | ✓ Ro5 | Alert |
COc1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1
|
| ZINC4142739 | 0.500 | 287.4 Da LogP 4.41 TPSA 27.6 | ✓ Ro5 | Alert |
CN(C)c1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1
|
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.