Overview
Basic information about this protein and its source genome.
- Accession
- PA1129
- Gene
- PA1129 fosA
- Status
- annotated
- Amino acids
- 135
- Structure source
- Experimental + AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- 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.
MLTGLNHLTLAVADLPASIAFYRDLLGFRLEARWDQGAYLELGSLWLCLSREPQYGGPAADYTHYAFGIAAADFARFAAQLRAHGVREWKQNRSEGDSFYFLDPDGHRLEAHVGDLRSRLAACRQAPYAGMRFAD
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
4- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0004364 Catalysis of the reaction: RX + glutathione = an S-substituted glutathione + a halide anion + H+.
- GO:0046872 Binding to a metal ion.
- GO:0046677 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 an antibiotic stimulus. An antibiotic is a chemical substance produced by a microorganism which has the capacity to inhibit the growth of or to kill other microorganisms.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 4 | 114 | ProSiteProfiles | PS51819 | Vicinal oxygen chelate (VOC) domain profile. |
| 4 | 114 | InterPro | IPR037523 | Vicinal oxygen chelate (VOC) domain |
| 1 | 127 | SUPERFAMILY | SSF54593 | Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase |
| 1 | 127 | InterPro | IPR029068 | Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase |
| 4 | 125 | CDD | cd07244 | FosA |
| 4 | 110 | Pfam | PF00903 | Glyoxalase/Bleomycin resistance protein/Dioxygenase superfamily |
| 4 | 110 | InterPro | IPR004360 | Glyoxalase/fosfomycin resistance/dioxygenase domain |
| 1 | 135 | Gene3D | G3DSA:3.10.180.10 | - |
| 1 | 135 | InterPro | IPR029068 | Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase |
| 2 | 112 | PANTHER | PTHR21366 | GLYOXALASE FAMILY PROTEIN |
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
5 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
PDB
1NKI
|
X-ray | 0.95 Å | A,B |
|
Viewing | |
|
PDB
1LQP
|
X-ray | 1.19 Å | A,B |
|
Loaded | |
|
PDB
1LQK
|
X-ray | 1.35 Å | A,B |
|
Loaded | |
|
PDB
1LQO
|
X-ray | 2.00 Å | A,B |
|
Loaded | |
|
PDB
1NNR
|
X-ray | 2.25 Å | A,B |
|
Loaded | |
|
AlphaFold
PA1129
|
AlphaFold | — | — | 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 |
|---|---|---|---|---|---|---|---|
| 1 | 0.676 | ||||||
| 3 | 0.289 |
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 | 8.92 | 0.478 | ||||||
| 2 | 3.38 | 0.121 | ||||||
| 3 | 2.28 | 0.057 |
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 | 0.695 | ||||||
| 3 | 0.203 |
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 |
|---|---|---|---|---|---|
| FCN | 138.1 Da LogP -0.09 TPSA 70.1 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@H](O1)P(=O)(O)O
|
|
| PPF | 126.0 Da LogP -0.16 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
C(=O)(O)P(=O)(O)O
|
|
| TL | 204.4 Da LogP -0.38 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
[Tl+]
|
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 |
|---|---|---|---|---|---|---|
| 1KM | Q739M9 | 259.2 Da LogP -0.98 TPSA 141.1 | ✓ Ro5 | ✓ Clean |
C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O
|
|
| A81 | D7UQM0 | 537.1 Da LogP 1.85 TPSA 172.1 | 1 viol. | ✓ Clean |
C1=C(C=NC2=C(C(=O)NN21)Br)c3c(c(n[nH]3)C4=CN5C(…
|
|
| NY2 | A0A0H3GM04 | 325.1 Da LogP 1.08 TPSA 122.0 | ✓ Ro5 | ✓ Clean |
c1c(c(n[nH]1)C2=CN3C(=C(C(=O)N3)Br)N=C2)[N+](=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 |
|---|---|---|---|---|---|
| ZINC4343613 | 1.000 | 325.1 Da LogP 1.08 TPSA 122.0 | ✓ Ro5 | ✓ Clean |
O=c1[nH]n2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1Br
|
| ZINC5131766 | 0.538 | 224.3 Da LogP -1.26 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O
|
| ZINC1730666 | 0.524 | 208.2 Da LogP -1.46 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1730667 | 0.524 | 208.2 Da LogP -1.46 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CSC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1730669 | 0.524 | 208.2 Da LogP -1.46 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CSC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC3055005 | 0.524 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC3055007 | 0.524 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC3055010 | 0.524 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC33355141 | 0.519 | 335.2 Da LogP 0.12 TPSA 193.7 | 1 viol. | ✓ Clean |
O=[N+]([O-])c1c(-c2cnn([N+](=O)[O-])c2)n[nH]c1-…
|
| ZINC4343609 | 0.508 | 435.3 Da LogP 1.13 TPSA 206.8 | 1 viol. | ✓ Clean |
O=C(O)c1cc2ncc(-c3n[nH]c(-c4cnc5cc(C(=O)O)nn5c4…
|
| ZINC1555366 | 0.500 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1555367 | 0.500 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1555369 | 0.500 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1720127 | 0.500 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1720128 | 0.500 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1720130 | 0.500 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC3623257 | 0.500 | 202.2 Da LogP -0.85 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](C/C=C/C[C@@H](N)C(=O)O)C(=O)O
|
| ZINC40439568 | 0.500 | 208.2 Da LogP -2.19 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O
|
| ZINC4580672 | 0.500 | 202.2 Da LogP -0.85 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](C/C=C/C[C@H](N)C(=O)O)C(=O)O
|
| ZINC4580676 | 0.500 | 202.2 Da LogP -0.85 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](C/C=C/C[C@@H](N)C(=O)O)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.