Overview
Basic information about this protein and its source genome.
- Accession
- PA0763
- Gene
- PA0763 mucA
- Status
- annotated
- Amino acids
- 194
- Structure source
- Experimental + AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- Localization
- CytoplasmicMembrane
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)
4- 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:0016989 The function of binding to a sigma factor and stopping, preventing or reducing the rate of its transcriptional activity.
- GO:0042121 The chemical reactions and pathways resulting in the formation of alginic acid, a hydrophilic polysaccharide occurring in, for example, the cell walls of brown algae (brown seaweeds).
- GO:0032885 Any process that modulates the frequency, rate or extent of the chemical reactions and pathways resulting in the formation of polysaccharides.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 85 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 107 | 194 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 6 | 72 | SUPERFAMILY | SSF89069 | N-terminal, cytoplasmic domain of anti-sigmaE factor RseA |
| 6 | 72 | InterPro | IPR036147 | Anti sigma-E protein RseA, N-terminal domain superfamily |
| 7 | 57 | CDD | cd16328 | RseA_N |
| 7 | 57 | InterPro | IPR005572 | Anti sigma-E protein RseA, N-terminal |
| 6 | 72 | FunFam | G3DSA:1.10.10.880:FF:000002 | Sigma factor AlgU regulatory protein MucA |
| 6 | 72 | Gene3D | G3DSA:1.10.10.880 | - |
| 86 | 106 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 7 | 75 | Pfam | PF03872 | Anti sigma-E protein RseA, N-terminal domain |
| 7 | 75 | InterPro | IPR005572 | Anti sigma-E protein RseA, N-terminal |
| 124 | 175 | Pfam | PF03873 | Anti sigma-E protein RseA, C-terminal domain |
| 124 | 175 | InterPro | IPR005573 | Anti sigma-E protein RseA, C-terminal |
| 1 | 193 | PANTHER | PTHR38104 | - |
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
4 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
PDB
6IN9
|
X-ray | 1.80 Å | C,D |
|
Viewing | |
|
PDB
6JAU
|
X-ray | 1.91 Å | B |
|
Loaded | |
|
PDB
6IN7
|
X-ray | 1.96 Å | A |
|
Loaded | |
|
PDB
8Z6G
|
X-ray | 2.10 Å | A,C,E |
|
Loaded | |
|
AlphaFold
PA0763
|
AlphaFold | — | — | full sequence | — | Loaded |
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer
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 | 10.27 | 0.552 | ||||||
| 2 | 4.79 | 0.212 |
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 | 0.63 | ||||||
| 7 | 0.331 |
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.
| Ligand | Source crystal | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| NCA | 122.1 Da LogP 0.18 TPSA 56.0 | ✓ Ro5 | ✓ Clean |
c1cc(cnc1)C(=O)N
|
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).
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 |
|---|---|---|---|---|---|
| ZINC12501520 | 1.000 | 458.5 Da LogP -0.88 TPSA 123.5 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC3874716 | 1.000 | 414.5 Da LogP -0.90 TPSA 114.3 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC4283769 | 1.000 | 238.3 Da LogP -0.96 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCO
|
| ZINC4521548 | 1.000 | 282.3 Da LogP -0.95 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCO
|
| ZINC5178829 | 1.000 | 326.4 Da LogP -0.93 TPSA 95.8 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5178830 | 1.000 | 370.4 Da LogP -0.91 TPSA 105.1 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1592410 | 0.708 | 212.2 Da LogP 1.54 TPSA 59.9 | ✓ Ro5 | Alert |
O=C(C(=O)c1cccnc1)c1cccnc1
|
| ZINC115086873 | 0.688 | 209.2 Da LogP -1.08 TPSA 83.2 | ✓ Ro5 | ✓ Clean |
NOCCOCCOCCOCCO
|
| ZINC137432264 | 0.688 | 457.6 Da LogP -0.91 TPSA 129.3 | 1 viol. | ✓ Clean |
NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC146143823 | 0.688 | 237.3 Da LogP -1.00 TPSA 83.2 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCO
|
| ZINC1542984442 | 0.688 | 413.5 Da LogP -0.93 TPSA 120.1 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1565503710 | 0.688 | 254.3 Da LogP -0.03 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCS
|
| ZINC1580161 | 0.688 | 208.3 Da LogP -0.33 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCO
|
| ZINC16052118 | 0.688 | 340.4 Da LogP -0.28 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCO
|
| ZINC16052257 | 0.688 | 384.5 Da LogP -0.26 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1857792028 | 0.688 | 430.6 Da LogP 0.04 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC1857792057 | 0.688 | 474.6 Da LogP 0.06 TPSA 103.3 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC230494776 | 0.688 | 325.4 Da LogP -0.96 TPSA 101.6 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCOCCOCCO
|
| ZINC34317654 | 0.688 | 472.6 Da LogP -0.23 TPSA 112.5 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC38917157 | 0.688 | 210.3 Da LogP -0.04 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCS
|
| ZINC44076059 | 0.688 | 428.5 Da LogP -0.24 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5210101 | 0.688 | 252.3 Da LogP -0.31 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCO
|
| ZINC5650743 | 0.688 | 222.3 Da LogP 0.07 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCO
|
| ZINC5997860 | 0.688 | 296.4 Da LogP -0.29 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCO
|
| ZINC6403917 | 0.688 | 354.4 Da LogP 0.11 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC77271182 | 0.688 | 281.3 Da LogP -0.98 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCOCCO
|
| ZINC83253921 | 0.688 | 369.5 Da LogP -0.95 TPSA 110.9 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC90741446 | 0.688 | 386.5 Da LogP 0.02 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC90741447 | 0.688 | 298.4 Da LogP -0.01 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCS
|
| ZINC144169243 | 0.647 | 281.3 Da LogP -1.37 TPSA 89.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCNCCOCCOCCO
|
| ZINC205758716 | 0.647 | 457.6 Da LogP -1.31 TPSA 126.3 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCNCCOCCOCCOCCOCCO
|
| ZINC575441396 | 0.647 | 369.5 Da LogP -1.34 TPSA 107.9 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCNCCOCCOCCOCCO
|
| ZINC116431 | 0.636 | 241.2 Da LogP 1.43 TPSA 85.1 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccc(NC(=O)c2cccnc2)cc1
|
| ZINC10030294 | 0.618 | 241.2 Da LogP 1.43 TPSA 85.1 | ✓ Ro5 | ✓ Clean |
NC(=O)c1cccc(NC(=O)c2cccnc2)c1
|
| ZINC8379324 | 0.618 | 284.3 Da LogP 0.53 TPSA 128.2 | ✓ Ro5 | ✓ Clean |
NC(=O)c1cc(NC(=O)c2cccnc2)cc(C(N)=O)c1
|
| ZINC1644613 | 0.611 | 206.3 Da LogP 0.83 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCOCCOCCOCCO
|
| ZINC258839852 | 0.611 | 276.3 Da LogP 0.61 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCC(F)(F)F
|
| ZINC100083979 | 0.607 | 226.2 Da LogP 1.93 TPSA 59.9 | ✓ Ro5 | ✓ Clean |
O=C(CC(=O)c1cccnc1)c1cccnc1
|
| ZINC95951757 | 0.607 | 240.3 Da LogP 0.50 TPSA 102.5 | ✓ Ro5 | ✓ Clean |
N/C(=N\N=C(/N)c1cccnc1)c1cccnc1
|
| ZINC167715346 | 0.600 | 266.3 Da LogP -0.18 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
OCCCOCCOCCOCCOCCCO
|
| ZINC1698713 | 0.600 | 272.3 Da LogP 1.49 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(OCCOC(=O)c1cccnc1)c1cccnc1
|
| ZINC34160867 | 0.600 | 222.3 Da LogP -0.20 TPSA 68.2 | ✓ Ro5 | ✓ Clean |
OCCCOCCOCCOCCCO
|
| ZINC1580159 | 0.588 | 210.3 Da LogP -0.26 TPSA 58.9 | ✓ Ro5 | ✓ Clean |
OCCOCCSCCOCCO
|
| ZINC207588231 | 0.579 | 207.3 Da LogP -0.75 TPSA 60.0 | ✓ Ro5 | ✓ Clean |
CNCCOCCOCCOCCO
|
| ZINC2555269 | 0.579 | 220.3 Da LogP 1.22 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCCOCCOCCOCCO
|
| ZINC258836919 | 0.579 | 364.4 Da LogP -0.27 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
C#CCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC39267847 | 0.579 | 208.2 Da LogP -0.89 TPSA 85.2 | ✓ Ro5 | ✓ Clean |
O=C(O)COCCOCCOCCO
|
| ZINC575440725 | 0.579 | 295.4 Da LogP -1.03 TPSA 80.6 | ✓ Ro5 | ✓ Clean |
CN(CCOCCOCCO)CCOCCOCCO
|
| ZINC83254085 | 0.579 | 354.4 Da LogP -0.45 TPSA 112.9 | ✓ Ro5 | ✓ Clean |
O=C(O)CCOCCOCCOCCOCCOCCOCCO
|
| ZINC96503425 | 0.579 | 222.2 Da LogP -0.50 TPSA 85.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CCOCCOCCOCCO
|
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.