Overview
Basic information about this protein and its source genome.
- Accession
- PA4041
- Gene
- PA4041
- Status
- annotated
- Amino acids
- 389
- Structure source
- 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.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
4- GO:0047808 Catalysis of the reaction: D-tartrate = H2O + oxaloacetate.
- GO:0016836 Catalysis of the cleavage of a carbon-oxygen bond by elimination of water.
- GO:0046872 Binding to a metal ion.
- GO:0034194 The chemical reactions and pathways resulting in the breakdown of D-galactonate, the anion of D-galactonic acid.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 126 | Gene3D | G3DSA:3.30.390.10 | - |
| 1 | 126 | InterPro | IPR029017 | Enolase-like, N-terminal |
| 2 | 386 | CDD | cd03326 | MR_like_1 |
| 2 | 386 | InterPro | IPR034611 | D-tartrate dehydratase |
| 1 | 136 | SUPERFAMILY | SSF54826 | Enolase N-terminal domain-like |
| 1 | 136 | InterPro | IPR029017 | Enolase-like, N-terminal |
| 128 | 381 | Gene3D | G3DSA:3.20.20.120 | - |
| 128 | 381 | InterPro | IPR036849 | Enolase-like, C-terminal domain superfamily |
| 122 | 376 | SUPERFAMILY | SSF51604 | Enolase C-terminal domain-like |
| 122 | 376 | InterPro | IPR036849 | Enolase-like, C-terminal domain superfamily |
| 166 | 374 | Pfam | PF13378 | Enolase C-terminal domain-like |
| 166 | 374 | InterPro | IPR029065 | Enolase C-terminal domain-like |
| 1 | 386 | SFLD | SFLDG00179 | mandelate racemase |
| 162 | 259 | SMART | SM00922 | MR_MLE_2 |
| 162 | 259 | InterPro | IPR013342 | Mandelate racemase/muconate lactonizing enzyme, C-terminal |
| 13 | 35 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 386 | SFLD | SFLDF00118 | D-tartrate dehydratase |
| 1 | 386 | InterPro | IPR034611 | D-tartrate dehydratase |
| 33 | 377 | PANTHER | PTHR48080 | D-GALACTONATE DEHYDRATASE-RELATED |
| 33 | 377 | InterPro | IPR034593 | D-galactonate dehydratase DgoD-like |
| 44 | 133 | Pfam | PF02746 | Mandelate racemase / muconate lactonizing enzyme, N-terminal domain |
| 44 | 133 | InterPro | IPR013341 | Mandelate racemase/muconate lactonizing enzyme, N-terminal 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
PA4041
|
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 |
|---|---|---|---|---|---|---|---|
| 2 | 0.281 | ||||||
| 11 | 0.229 |
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 |
|---|---|---|---|---|---|---|
| 0UT | P11444 | 228.2 Da LogP 2.01 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)C(c2ccccc2)(C(=O)O)O
|
|
| 0YR | Q7CU39 | 181.1 Da LogP -3.43 TPSA 130.2 | 1 viol. | ✓ Clean |
C([C@H]([C@H]([C@H](C(=O)NO)O)O)O)O
|
|
| 3PY | P11444 | 104.1 Da LogP -1.37 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
C(C(=O)C(=O)O)O
|
|
| APG | P11444 | 166.2 Da LogP 0.98 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
C[C@](c1ccccc1)(C(=O)O)O
|
|
| BFM | P11444 | 212.0 Da LogP 0.93 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O
|
|
| BHO | P11444 | 137.1 Da LogP 0.81 TPSA 49.3 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)C(=O)NO
|
|
| CFI | P11444 | 138.1 Da LogP 1.56 TPSA 52.9 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)N(N=O)O
|
|
| D8T | A5KUH4 | 166.1 Da LogP -2.85 TPSA 118.2 | ✓ Ro5 | ✓ Clean |
C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O
|
|
| LGT | Q8ZL58 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
[C@@H]([C@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O
|
|
| LLH | Q8ZL58 | 195.1 Da LogP -3.34 TPSA 147.3 | 1 viol. | ✓ Clean |
[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O
|
|
| RMN | P11444 | 152.1 Da LogP 0.80 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)[C@H](C(=O)O)O
|
|
| SMN | P11444 | 152.1 Da LogP 0.80 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)[C@@H](C(=O)O)O
|
|
| SRT | Q89FH0 | 150.1 Da LogP -2.12 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
[C@H]([C@H](C(=O)O)O)(C(=O)O)O
|
|
| TAR | Q89FH0 | 150.1 Da LogP -2.12 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
|
|
| TLA | Q89FH0 | 150.1 Da LogP -2.12 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
|
|
| TTN | P11444 | 118.0 Da LogP -4.15 TPSA 100.5 | ✓ Ro5 | ✓ Clean |
C(C(=O)[O-])(C(=O)[O-])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 |
|---|---|---|---|---|---|
| ZINC4240965 | 1.000 | 212.0 Da LogP 0.93 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)C(O)(C(F)(F)F)C(F)(F)F
|
| ZINC6645452 | 1.000 | 228.2 Da LogP 2.01 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)C(O)(c1ccccc1)c1ccccc1
|
| ZINC1531007 | 0.810 | 226.2 Da LogP -4.13 TPSA 158.7 | 1 viol. | ✓ Clean |
O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)…
|
| ZINC1734030 | 0.783 | 304.3 Da LogP 3.67 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1
|
| ZINC2042225 | 0.783 | 304.3 Da LogP 3.67 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1
|
| ZINC392272 | 0.760 | 242.3 Da LogP 2.65 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
C[C@](O)(C(=O)O)c1ccc(-c2ccccc2)cc1
|
| ZINC392273 | 0.760 | 242.3 Da LogP 2.65 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
C[C@@](O)(C(=O)O)c1ccc(-c2ccccc2)cc1
|
| ZINC32131443 | 0.750 | 307.1 Da LogP 2.77 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@@](O)(c1ccccc1)c1ccc(Br)cc1
|
| ZINC32131445 | 0.750 | 307.1 Da LogP 2.77 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@](O)(c1ccccc1)c1ccc(Br)cc1
|
| ZINC8462100 | 0.750 | 242.3 Da LogP 2.32 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
Cc1ccc([C@@](O)(C(=O)O)c2ccccc2)cc1
|
| ZINC8462101 | 0.750 | 242.3 Da LogP 2.32 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
Cc1ccc([C@](O)(C(=O)O)c2ccccc2)cc1
|
| ZINC1758655 | 0.720 | 242.3 Da LogP 2.32 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1[C@](O)(C(=O)O)c1ccccc1
|
| ZINC2042121 | 0.720 | 242.3 Da LogP 2.32 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1[C@@](O)(C(=O)O)c1ccccc1
|
| ZINC12359024 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
|
| ZINC13533920 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O
|
| ZINC1532740 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O
|
| ZINC1549593 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O
|
| ZINC16922478 | 0.692 | 256.3 Da LogP 2.62 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
Cc1cc(C)cc([C@@](O)(C(=O)O)c2ccccc2)c1
|
| ZINC1710973 | 0.692 | 256.3 Da LogP 2.62 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
Cc1cc(C)cc([C@](O)(C(=O)O)c2ccccc2)c1
|
| ZINC1710978 | 0.692 | 270.3 Da LogP 2.93 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
Cc1cc([C@](O)(C(=O)O)c2ccccc2)cc(C)c1C
|
| ZINC2013424 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O
|
| ZINC3581021 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O
|
| ZINC3860635 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O
|
| ZINC5783661 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
|
| ZINC6072527 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O
|
| ZINC8637693 | 0.692 | 270.3 Da LogP 2.93 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
Cc1cc([C@@](O)(C(=O)O)c2ccccc2)cc(C)c1C
|
| ZINC1646633 | 0.667 | 258.3 Da LogP 2.02 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
COc1ccc([C@](O)(C(=O)O)c2ccccc2)cc1
|
| ZINC1660129 | 0.667 | 225.2 Da LogP 2.26 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
O=C(NC(=O)c1ccccc1)c1ccccc1
|
| ZINC16922453 | 0.667 | 242.3 Da LogP 2.32 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
Cc1cccc([C@@](O)(C(=O)O)c2ccccc2)c1
|
| ZINC16972281 | 0.667 | 234.3 Da LogP 2.07 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@](O)(c1ccccc1)c1ccsc1
|
| ZINC1710966 | 0.667 | 242.3 Da LogP 2.32 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
Cc1cccc([C@](O)(C(=O)O)c2ccccc2)c1
|
| ZINC1734694 | 0.667 | 234.3 Da LogP 2.07 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@@](O)(c1ccccc1)c1ccsc1
|
| ZINC2048654 | 0.667 | 258.3 Da LogP 2.02 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
COc1ccc([C@@](O)(C(=O)O)c2ccccc2)cc1
|
| ZINC157102 | 0.654 | 226.3 Da LogP 2.78 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
C[C@](O)(C(=O)c1ccccc1)c1ccccc1
|
| ZINC157103 | 0.654 | 226.3 Da LogP 2.78 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
C[C@@](O)(C(=O)c1ccccc1)c1ccccc1
|
| ZINC2547706 | 0.654 | 200.6 Da LogP 1.63 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
C[C@@](O)(C(=O)O)c1ccc(Cl)cc1
|
| ZINC2547708 | 0.654 | 200.6 Da LogP 1.63 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
C[C@](O)(C(=O)O)c1ccc(Cl)cc1
|
| ZINC2547709 | 0.654 | 245.1 Da LogP 1.74 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
C[C@@](O)(C(=O)O)c1ccc(Br)cc1
|
| ZINC2547711 | 0.654 | 245.1 Da LogP 1.74 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
C[C@](O)(C(=O)O)c1ccc(Br)cc1
|
| ZINC44126143 | 0.654 | 228.2 Da LogP 2.47 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@@H](O)c1cccc(-c2ccccc2)c1
|
| ZINC44126147 | 0.654 | 228.2 Da LogP 2.47 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@H](O)c1cccc(-c2ccccc2)c1
|
| ZINC1446437 | 0.652 | 227.3 Da LogP 1.41 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
NC(=O)C(O)(c1ccccc1)c1ccccc1
|
| ZINC1594419 | 0.652 | 226.3 Da LogP 2.51 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CC(=O)C(O)(c1ccccc1)c1ccccc1
|
| ZINC1675358 | 0.643 | 278.3 Da LogP 3.16 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@](O)(c1ccccc1)c1cccc2ccccc12
|
| ZINC2047901 | 0.643 | 278.3 Da LogP 3.16 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@@](O)(c1ccccc1)c1cccc2ccccc12
|
| ZINC1590058 | 0.625 | 256.3 Da LogP 2.62 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
Cc1ccc(C(O)(C(=O)O)c2ccc(C)cc2)cc1
|
| ZINC1680018 | 0.625 | 288.3 Da LogP 3.81 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
O=C(c1ccccc1)C(O)(c1ccccc1)c1ccccc1
|
| ZINC236100 | 0.625 | 212.2 Da LogP 2.60 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
O=C(c1ccccc1)[C@H](O)c1ccccc1
|
| ZINC3845890 | 0.625 | 226.3 Da LogP 3.08 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CC(C(=O)O)(c1ccccc1)c1ccccc1
|
| ZINC4489083 | 0.625 | 386.0 Da LogP 3.53 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)C(O)(c1ccc(Br)cc1)c1ccc(Br)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.