Overview
Basic information about this protein and its source genome.
- Accession
- PA5157
- Gene
- PA5157
- Status
- annotated
- Amino acids
- 156
- 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
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
4- GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
- 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.
- 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).
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 14 | 145 | SUPERFAMILY | SSF46785 | Winged helix DNA-binding domain |
| 14 | 145 | InterPro | IPR036390 | Winged helix DNA-binding domain superfamily |
| 32 | 132 | SMART | SM00347 | marrlong4 |
| 32 | 132 | InterPro | IPR000835 | MarR-type HTH domain |
| 71 | 105 | ProSitePatterns | PS01117 | MarR-type HTH domain signature. |
| 71 | 105 | InterPro | IPR023187 | Transcriptional regulator MarR-type, conserved site |
| 39 | 96 | Pfam | PF01047 | MarR family |
| 39 | 96 | InterPro | IPR000835 | MarR-type HTH domain |
| 2 | 146 | Gene3D | G3DSA:1.10.10.10 | - |
| 2 | 146 | InterPro | IPR036388 | Winged helix-like DNA-binding domain superfamily |
| 22 | 143 | PANTHER | PTHR42756 | TRANSCRIPTIONAL REGULATOR, MARR |
| 56 | 72 | PRINTS | PR00598 | Bacterial regulatory protein MarR family signature |
| 56 | 72 | InterPro | IPR000835 | MarR-type HTH domain |
| 92 | 108 | PRINTS | PR00598 | Bacterial regulatory protein MarR family signature |
| 92 | 108 | InterPro | IPR000835 | MarR-type HTH domain |
| 122 | 142 | PRINTS | PR00598 | Bacterial regulatory protein MarR family signature |
| 122 | 142 | InterPro | IPR000835 | MarR-type HTH domain |
| 73 | 88 | PRINTS | PR00598 | Bacterial regulatory protein MarR family signature |
| 73 | 88 | InterPro | IPR000835 | MarR-type HTH domain |
| 12 | 144 | ProSiteProfiles | PS50995 | MarR-type HTH domain profile. |
| 12 | 144 | 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.
No pockets are loaded yet for the displayed AlphaFold model PA5157 structure. Run experimental pocket backfill to show FPocket/P2Rank overlays on this structure.
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
PA5157
|
AlphaFold | — | — | full sequence | — | Viewing |
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 |
|---|---|---|---|---|---|---|
| IAC | B0FXI7 | 175.2 Da LogP 1.79 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
c1ccc2c(c1)c(c[nH]2)CC(=O)O
|
|
| SAL | O26413 | 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 |
|---|---|---|---|---|---|
| ZINC1532617 | 0.767 | 203.2 Da LogP 1.36 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)Cc1c[nH]c2ccccc12
|
| ZINC84689016 | 0.767 | 203.2 Da LogP 1.16 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1c[nH]c2ccccc2c1=O
|
| ZINC57380 | 0.706 | 232.2 Da LogP 0.91 TPSA 82.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CNC(=O)Cc1c[nH]c2ccccc12
|
| ZINC205262 | 0.697 | 264.3 Da LogP 3.03 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
O=C(Cc1c[nH]c2ccccc12)NCc1ccccc1
|
| ZINC57378 | 0.697 | 203.2 Da LogP 2.58 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCc1c[nH]c2ccccc12
|
| ZINC1690614 | 0.688 | 233.2 Da LogP 1.50 TPSA 90.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC235956 | 0.676 | 250.3 Da LogP 3.35 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1
|
| ZINC2566960 | 0.676 | 231.3 Da LogP 3.36 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCCc1c[nH]c2ccccc12
|
| ZINC37632578 | 0.676 | 217.3 Da LogP 2.97 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCc1c[nH]c2ccccc12
|
| ZINC37632580 | 0.676 | 245.3 Da LogP 3.75 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCCCc1c[nH]c2ccccc12
|
| ZINC83138985 | 0.676 | 223.7 Da LogP 2.40 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@@H](Cl)Cc1c[nH]c2ccccc12
|
| ZINC9226777 | 0.676 | 221.3 Da LogP 2.49 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CSCc1c[nH]c2ccccc12
|
| ZINC267573 | 0.667 | 202.3 Da LogP 1.80 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
CN(C)C(=O)Cc1c[nH]c2ccccc12
|
| ZINC6624307 | 0.667 | 246.3 Da LogP 1.30 TPSA 82.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CCNC(=O)Cc1c[nH]c2ccccc12
|
| ZINC72210192 | 0.667 | 215.3 Da LogP 3.33 TPSA 32.9 | ✓ Ro5 | ✓ Clean |
CC(C)(C)C(=O)Cc1c[nH]c2ccccc12
|
| ZINC1560406161 | 0.657 | 217.2 Da LogP 1.55 TPSA 65.1 | ✓ Ro5 | ✓ Clean |
CN[C](Cc1c[nH]c2ccccc12)C(=O)O
|
| 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
|
| ZINC26506187 | 0.647 | 251.3 Da LogP 3.46 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1c[nH]c2ccc(-c3ccccc3)cc12
|
| ZINC39098 | 0.647 | 205.2 Da LogP 1.16 TPSA 73.3 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@@H](O)Cc1c[nH]c2ccccc12
|
| ZINC39099 | 0.647 | 205.2 Da LogP 1.16 TPSA 73.3 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@H](O)Cc1c[nH]c2ccccc12
|
| ZINC83138991 | 0.647 | 268.1 Da LogP 2.56 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@@H](Br)Cc1c[nH]c2ccccc12
|
| ZINC187911 | 0.643 | 246.3 Da LogP 4.24 TPSA 31.6 | ✓ Ro5 | ✓ Clean |
c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1
|
| ZINC15349317 | 0.639 | 264.3 Da LogP 3.37 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
CN(C(=O)Cc1c[nH]c2ccccc12)c1ccccc1
|
| ZINC1626891 | 0.639 | 218.3 Da LogP 1.68 TPSA 56.3 | ✓ Ro5 | ✓ Clean |
CN(CC(=O)O)Cc1c[nH]c2ccccc12
|
| ZINC392930 | 0.639 | 278.3 Da LogP 2.67 TPSA 62.0 | ✓ Ro5 | ✓ Clean |
O=C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
|
| ZINC4240327 | 0.639 | 218.3 Da LogP 1.51 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12
|
| ZINC4521117 | 0.639 | 218.3 Da LogP 1.51 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](CC(=O)O)Cc1c[nH]c2ccccc12
|
| ZINC9667362 | 0.639 | 235.3 Da LogP 2.88 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CCSCc1c[nH]c2ccccc12
|
| ZINC204277478 | 0.636 | 219.2 Da LogP 1.49 TPSA 90.4 | ✓ Ro5 | ✓ Clean |
O=C(O)Cc1c[nH]c2cc(C(=O)O)ccc12
|
| ZINC38015257 | 0.632 | 260.3 Da LogP 1.64 TPSA 73.4 | ✓ Ro5 | ✓ Clean |
CCN(CC(=O)O)C(=O)Cc1c[nH]c2ccccc12
|
| ZINC4298522 | 0.632 | 260.3 Da LogP 1.69 TPSA 82.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCNC(=O)Cc1c[nH]c2ccccc12
|
| ZINC56756 | 0.632 | 290.3 Da LogP 0.75 TPSA 119.5 | ✓ Ro5 | ✓ Clean |
O=C(O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC56757 | 0.632 | 290.3 Da LogP 0.75 TPSA 119.5 | ✓ Ro5 | ✓ Clean |
O=C(O)C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC178385 | 0.629 | 203.2 Da LogP 2.43 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
C[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC178387 | 0.629 | 203.2 Da LogP 2.43 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
C[C@H](Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC259149455 | 0.629 | 225.2 Da LogP 2.43 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)C(F)(F)Cc1c[nH]c2ccccc12
|
| ZINC27474652 | 0.629 | 230.3 Da LogP 2.58 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
CCN(CC)C(=O)Cc1c[nH]c2ccccc12
|
| ZINC517260 | 0.629 | 249.3 Da LogP 3.98 TPSA 32.9 | ✓ Ro5 | ✓ Clean |
O=C(CCc1c[nH]c2ccccc12)c1ccccc1
|
| ZINC56627 | 0.629 | 203.2 Da LogP 2.27 TPSA 42.1 | ✓ Ro5 | ✓ Clean |
CCOC(=O)Cc1c[nH]c2ccccc12
|
| ZINC83315 | 0.629 | 204.2 Da LogP 1.12 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC83317 | 0.629 | 204.2 Da LogP 1.12 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC3328079 | 0.622 | 340.4 Da LogP 4.62 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
O=C(Cc1c[nH]c2ccccc12)NC(c1ccccc1)c1ccccc1
|
| ZINC82292866 | 0.622 | 232.3 Da LogP 1.77 TPSA 65.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CCNCCc1c[nH]c2ccccc12
|
| ZINC105146 | 0.619 | 242.2 Da LogP 2.75 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccccc1-c1ccccc1C(=O)O
|
| ZINC95969941 | 0.615 | 322.4 Da LogP 2.82 TPSA 73.4 | ✓ Ro5 | ✓ Clean |
O=C(O)CN(Cc1ccccc1)C(=O)Cc1c[nH]c2ccccc12
|
| ZINC1225197 | 0.613 | 207.3 Da LogP 3.76 TPSA 15.8 | ✓ Ro5 | ✓ Clean |
c1ccc(Cc2c[nH]c3ccccc23)cc1
|
| ZINC480361 | 0.611 | 250.3 Da LogP 3.10 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
O=C(NCc1c[nH]c2ccccc12)c1ccccc1
|
| ZINC6864822 | 0.611 | 218.3 Da LogP 1.51 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@H](CCc1c[nH]c2ccccc12)C(=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.