Overview
Basic information about this protein and its source genome.
- Accession
- PA2849
- Gene
- ohrR PA2849
- Status
- annotated
- Amino acids
- 151
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- Localization
- Cytoplasmic
Selected Druggability evidence
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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
9- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0032993 A macromolecular complex containing both protein and DNA molecules.
- GO:0001217 A DNA-binding transcription factor activity that represses or decreases the transcription of specific gene sets.
- GO:0000976 Binding to a specific sequence of DNA that is part of a regulatory region that controls transcription of that section of the DNA. The transcribed region might be described as a gene, cistron, or operon.
- GO:0045892 Any process that stops, prevents, or reduces the frequency, rate or extent of cellular DNA-templated transcription.
- GO:1900407 Any process that modulates the frequency, rate or extent of cellular response to oxidative stress.
- GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
- GO:0006950 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a disturbance in organismal or cellular homeostasis, usually, but not necessarily, exogenous (e.g. temperature, humidity, ionizing radiation).
- GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 13 | 119 | PANTHER | PTHR33164 | TRANSCRIPTIONAL REGULATOR, MARR FAMILY |
| 13 | 119 | InterPro | IPR039422 | Transcription regulators MarR/SlyA-like |
| 42 | 100 | Pfam | PF01047 | MarR family |
| 42 | 100 | InterPro | IPR000835 | MarR-type HTH domain |
| 35 | 133 | SMART | SM00347 | marrlong4 |
| 35 | 133 | InterPro | IPR000835 | MarR-type HTH domain |
| 59 | 75 | PRINTS | PR00598 | Bacterial regulatory protein MarR family signature |
| 59 | 75 | InterPro | IPR000835 | MarR-type HTH domain |
| 95 | 111 | PRINTS | PR00598 | Bacterial regulatory protein MarR family signature |
| 95 | 111 | InterPro | IPR000835 | MarR-type HTH domain |
| 76 | 91 | PRINTS | PR00598 | Bacterial regulatory protein MarR family signature |
| 76 | 91 | InterPro | IPR000835 | MarR-type HTH domain |
| 8 | 149 | FunFam | G3DSA:1.10.10.10:FF:000163 | MarR family transcriptional regulator |
| 7 | 149 | Gene3D | G3DSA:1.10.10.10 | - |
| 7 | 149 | InterPro | IPR036388 | Winged helix-like DNA-binding domain superfamily |
| 8 | 148 | SUPERFAMILY | SSF46785 | Winged helix DNA-binding domain |
| 8 | 148 | InterPro | IPR036390 | Winged helix DNA-binding domain superfamily |
| 15 | 142 | ProSiteProfiles | PS50995 | MarR-type HTH domain profile. |
| 15 | 142 | InterPro | IPR000835 | MarR-type HTH domain |
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 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
PA2849
|
AlphaFold | — | — | full sequence | — | Viewing |
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 |
|---|---|---|---|---|---|---|---|
| 1 | 0.941 |
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 |
|---|---|---|---|---|---|---|
| 4HP | Q7DD70 | 152.1 Da LogP 1.02 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
c1cc(ccc1CC(=O)O)O
|
|
| BHA | P9WME9 | 153.1 Da LogP 0.67 TPSA 83.5 | ✓ Ro5 | ✓ Clean |
c1cc(c(cc1N)O)C(=O)O
|
|
| BT6 | A0A0H3KA72 | 110.2 Da LogP 1.98 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)S
|
|
| SAL | P9WME9 | 138.1 Da LogP 1.09 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
c1ccc(c(c1)C(=O)O)O
|
|
| WCA | Q6N8V9 | 913.7 Da LogP 0.08 TPSA 383.9 | 3 viol. | ✓ Clean |
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([…
|
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 |
|---|---|---|---|---|---|
| ZINC32222424 | 0.864 | 228.2 Da LogP 2.69 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(-c2ccc(O)cc2)cc1
|
| ZINC1682664 | 0.682 | 270.3 Da LogP 2.61 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(-c2ccc(CC(=O)O)cc2)cc1
|
| ZINC391495 | 0.682 | 298.3 Da LogP 2.73 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(CCc2ccc(CC(=O)O)cc2)cc1
|
| ZINC575442763 | 0.667 | 314.3 Da LogP 2.66 TPSA 83.8 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(COCc2ccc(CC(=O)O)cc2)cc1
|
| ZINC400143 | 0.652 | 214.2 Da LogP 2.76 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccccc1-c1ccccc1O
|
| ZINC38392758 | 0.650 | 242.2 Da LogP 2.16 TPSA 74.6 | ✓ Ro5 | Alert |
O=C(C(=O)c1ccccc1O)c1ccccc1O
|
| ZINC404363 | 0.650 | 214.2 Da LogP 2.33 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(c1ccccc1O)c1ccccc1O
|
| ZINC33604885 | 0.630 | 202.2 Da LogP 2.17 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc2cc(O)ccc2c1
|
| ZINC895813 | 0.630 | 209.2 Da LogP 0.14 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
O=C(O)CNC(=O)Cc1ccc(O)cc1
|
| ZINC156360 | 0.625 | 262.0 Da LogP 1.92 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(I)cc1
|
| ZINC167159 | 0.625 | 215.0 Da LogP 2.08 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(Br)cc1
|
| ZINC138655031 | 0.621 | 216.2 Da LogP -0.39 TPSA 123.5 | ✓ Ro5 | ✓ Clean |
Nc1ccc(C(=O)O)c(S(N)(=O)=O)c1
|
| ZINC105146 | 0.619 | 242.2 Da LogP 2.75 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccccc1-c1ccccc1C(=O)O
|
| ZINC146669761 | 0.615 | 274.2 Da LogP 2.16 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(-c2ccc(C(=O)O)c(O)c2)cc1O
|
| ZINC1566365 | 0.607 | 216.0 Da LogP 1.73 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
Nc1ccc(C(=O)O)c(Br)c1
|
| ZINC34275240 | 0.607 | 263.0 Da LogP 1.57 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
Nc1ccc(C(=O)O)c(I)c1
|
| ZINC1699472 | 0.600 | 286.3 Da LogP 2.73 TPSA 83.8 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(Oc2ccc(CC(=O)O)cc2)cc1
|
| ZINC2318 | 0.600 | 212.2 Da LogP 2.98 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(-c2ccccc2)cc1
|
| ZINC3750843 | 0.600 | 226.3 Da LogP 2.90 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(Cc2ccccc2)cc1
|
| ZINC39297153 | 0.600 | 228.2 Da LogP 2.52 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(Cc1ccc(O)cc1)c1ccc(O)cc1
|
| ZINC2048532660 | 0.593 | 350.3 Da LogP 3.83 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(-c2ccc(-c3ccc(C(=O)O)c(O)c3)cc2)cc1O
|
| ZINC2062 | 0.593 | 258.2 Da LogP 2.31 TPSA 83.8 | ✓ Ro5 | ✓ Clean |
O=C(Oc1ccccc1C(=O)O)c1ccccc1O
|
| ZINC4202493 | 0.593 | 272.3 Da LogP 1.91 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
Nc1ccc(-c2ccc(N)cc2C(=O)O)c(C(=O)O)c1
|
| ZINC82369423 | 0.583 | 217.0 Da LogP 1.85 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccc(O)c1Br
|
| ZINC95713705 | 0.583 | 264.0 Da LogP 1.70 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccc(O)c1I
|
| ZINC1256693 | 0.577 | 226.3 Da LogP 3.29 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
Cc1ccc(-c2ccc(CC(=O)O)cc2)cc1
|
| ZINC149361708 | 0.577 | 230.2 Da LogP 2.46 TPSA 77.8 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccc(-c2ccccc2O)c1O
|
| ZINC1577073 | 0.577 | 214.2 Da LogP 2.76 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc(-c2ccccc2)ccc1O
|
| ZINC195766543 | 0.577 | 328.4 Da LogP 1.76 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
C[Si](C)(c1ccc(CC(=O)O)cc1)c1ccc(CC(=O)O)cc1
|
| ZINC220053800 | 0.577 | 242.3 Da LogP 2.47 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(-c2ccc(CO)cc2)cc1
|
| ZINC39194529 | 0.577 | 214.2 Da LogP 2.76 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(-c2ccccc2)cc1O
|
| ZINC119905 | 0.576 | 229.2 Da LogP 2.19 TPSA 72.6 | ✓ Ro5 | ✓ Clean |
Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
|
| ZINC148036793 | 0.571 | 378.3 Da LogP 3.53 TPSA 110.1 | ✓ Ro5 | ✓ Clean |
O=C(Oc1ccccc1C(=O)Oc1ccccc1C(=O)O)c1ccccc1O
|
| ZINC1600331 | 0.571 | 330.2 Da LogP 2.15 TPSA 149.2 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccc(C(=O)O)c1-c1c(C(=O)O)cccc1C(=O)O
|
| ZINC1670022 | 0.571 | 258.2 Da LogP 2.03 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccccc1C(=O)c1cc(O)ccc1O
|
| ZINC1701207 | 0.571 | 264.0 Da LogP 1.70 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(I)cc1O
|
| ZINC1701222 | 0.571 | 217.0 Da LogP 1.85 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(Br)cc1O
|
| ZINC642881572 | 0.571 | 486.4 Da LogP 4.90 TPSA 172.6 | 1 viol. | ✓ Clean |
O=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)c(O)c3)cc(-c3cc…
|
| ZINC139174928 | 0.567 | 228.2 Da LogP 2.69 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(-c2cccc(O)c2)cc1
|
| ZINC2513558 | 0.567 | 205.1 Da LogP 1.99 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
Nc1ccc(C(=O)O)c(C(F)(F)F)c1
|
| ZINC164706 | 0.565 | 201.0 Da LogP 2.15 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccccc1Br
|
| ZINC2453187 | 0.565 | 257.2 Da LogP 1.67 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
O=C(NC(=O)c1ccccc1O)c1ccccc1O
|
| ZINC90931 | 0.565 | 248.0 Da LogP 1.99 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccccc1I
|
| ZINC34334267 | 0.560 | 244.2 Da LogP 2.09 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc2cc(CC(=O)O)ccc2c1
|
| ZINC4289585 | 0.560 | 226.1 Da LogP 0.49 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1O
|
| ZINC553173 | 0.560 | 326.4 Da LogP 1.70 TPSA 81.1 | ✓ Ro5 | ✓ Clean |
O=C(c1ccccc1O)N1CCN(C(=O)c2ccccc2O)CC1
|
| ZINC120057 | 0.556 | 204.1 Da LogP 2.33 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(C(F)(F)F)cc1
|
| ZINC1257448 | 0.556 | 246.7 Da LogP 3.63 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(-c2ccc(Cl)cc2)cc1
|
| ZINC5763397 | 0.556 | 230.2 Da LogP 3.12 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(-c2ccc(F)cc2)cc1
|
| ZINC95774342 | 0.556 | 218.2 Da LogP 2.42 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1ccc(CC(F)(F)F)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.