Overview
Basic information about this protein and its source genome.
- Accession
- PA0594
- Gene
- PA0594 surA
- Status
- annotated
- Amino acids
- 430
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 31.356
- Human E-value
- 1.41e-08
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- Localization
- Periplasmic
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.
Enzyme Commission (EC)
1Gene Ontology (GO)
7- GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall.
- GO:0042277 Binding to a peptide, an organic compound comprising two or more amino acids linked by peptide bonds.
- GO:0003755 Catalysis of the reaction: peptidyl-proline (omega=180) = peptidyl-proline (omega=0).
- GO:0051082 Binding to an unfolded protein.
- GO:0043165 The assembly of an outer membrane of the type formed in Gram-negative bacteria. This membrane is enriched in polysaccharide and protein, and the outer leaflet of the membrane contains specific lipopolysaccharide structures.
- GO:0006457 The process of assisting in the covalent and noncovalent assembly of single chain polypeptides or multisubunit complexes into the correct tertiary structure.
- GO:0050821 Any process involved in maintaining the structure and integrity of a protein and preventing it from degradation or aggregation.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 171 | 284 | Gene3D | G3DSA:3.10.50.40 | - |
| 171 | 284 | InterPro | IPR046357 | Peptidyl-prolyl cis-trans isomerase domain superfamily |
| 285 | 422 | Gene3D | G3DSA:3.10.50.40 | - |
| 285 | 422 | InterPro | IPR046357 | Peptidyl-prolyl cis-trans isomerase domain superfamily |
| 27 | 153 | Gene3D | G3DSA:1.10.4030.10 | - |
| 26 | 430 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 12 | 20 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 282 | 386 | Pfam | PF13616 | PPIC-type PPIASE domain |
| 30 | 206 | SUPERFAMILY | SSF109998 | Triger factor/SurA peptide-binding domain-like |
| 30 | 206 | InterPro | IPR027304 | Trigger factor/SurA domain superfamily |
| 184 | 276 | Pfam | PF00639 | PPIC-type PPIASE domain |
| 184 | 276 | InterPro | IPR000297 | Peptidyl-prolyl cis-trans isomerase, PpiC-type |
| 1 | 25 | SignalP_GRAM_POSITIVE | SignalP-TM | SignalP-TM |
| 176 | 277 | ProSiteProfiles | PS50198 | PpiC-type peptidyl-prolyl cis-trans isomerase family profile. |
| 176 | 277 | InterPro | IPR000297 | Peptidyl-prolyl cis-trans isomerase, PpiC-type |
| 21 | 25 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 1 | 25 | SignalP_EUK | SignalP-noTM | SignalP-noTM |
| 1 | 11 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 286 | 385 | ProSiteProfiles | PS50198 | PpiC-type peptidyl-prolyl cis-trans isomerase family profile. |
| 286 | 385 | InterPro | IPR000297 | Peptidyl-prolyl cis-trans isomerase, PpiC-type |
| 30 | 147 | Pfam | PF09312 | SurA N-terminal domain |
| 30 | 147 | InterPro | IPR015391 | SurA N-terminal |
| 12 | 430 | Hamap | MF_01183 | Chaperone SurA [surA]. |
| 12 | 430 | InterPro | IPR023034 | Peptidyl-prolyl isomerase SurA |
| 285 | 387 | SUPERFAMILY | SSF54534 | FKBP-like |
| 12 | 281 | PANTHER | PTHR47637 | CHAPERONE SURA |
| 177 | 281 | SUPERFAMILY | SSF54534 | FKBP-like |
| 1 | 25 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
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
PA0594
|
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 | 0.793 | ||||||
| 3 | 0.467 |
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 |
|---|---|---|---|---|---|---|
| 2NV | Q81CB1 | 279.4 Da LogP 0.44 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOC[C@@H](C)N
|
|
| D1D | Q9Y237 | 152.2 Da LogP 0.10 TPSA 40.5 | ✓ Ro5 | ✓ Clean |
C1[C@H]([C@@H](CSS1)O)O
|
|
| ICB | P56112 | 161.2 Da LogP 1.87 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
c1ccc2c(c1)cc([nH]2)C(=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 |
|---|---|---|---|---|---|
| ZINC142395 | 0.700 | 221.3 Da LogP 3.40 TPSA 32.9 | ✓ Ro5 | ✓ Clean |
O=C(c1ccccc1)c1cc2ccccc2[nH]1
|
| ZINC141246167 | 0.667 | 319.3 Da LogP 3.60 TPSA 98.0 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1
|
| ZINC2384034 | 0.667 | 205.2 Da LogP 1.56 TPSA 90.4 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc2cc(C(=O)O)[nH]c2c1
|
| ZINC11866572 | 0.656 | 372.4 Da LogP 3.25 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2cc3ccccc3[nH]…
|
| ZINC32003100 | 0.656 | 237.3 Da LogP 3.53 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2cc(-c3ccccc3)ccc2[nH]1
|
| ZINC3748671 | 0.656 | 237.3 Da LogP 3.53 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2ccc(-c3ccccc3)cc2[nH]1
|
| ZINC74002845 | 0.656 | 226.2 Da LogP 2.86 TPSA 68.9 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(-c2cc3ccccc3[nH]2)[nH]1
|
| ZINC384465 | 0.636 | 236.3 Da LogP 3.42 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccccc1)c1cc2ccccc2[nH]1
|
| ZINC12919870 | 0.618 | 214.3 Da LogP 2.40 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCCC1
|
| ZINC2582702 | 0.613 | 205.2 Da LogP 1.56 TPSA 90.4 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc2[nH]c(C(=O)O)cc2c1
|
| ZINC2582710 | 0.613 | 240.1 Da LogP 2.63 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2ccc(Br)cc2[nH]1
|
| ZINC402742 | 0.613 | 240.1 Da LogP 2.63 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2cc(Br)ccc2[nH]1
|
| ZINC20728176 | 0.611 | 301.3 Da LogP 0.54 TPSA 93.7 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
|
| ZINC23788096 | 0.611 | 333.4 Da LogP 2.77 TPSA 56.4 | ✓ Ro5 | ✓ Clean |
O=C(c1ccccc1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
|
| ZINC23582 | 0.606 | 211.2 Da LogP 3.02 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2c(ccc3ccccc32)[nH]1
|
| ZINC39341723 | 0.606 | 203.2 Da LogP 2.07 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
CC(=O)c1ccc2cc(C(=O)O)[nH]c2c1
|
| ZINC19843563 | 0.600 | 218.2 Da LogP 0.98 TPSA 82.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CNC(=O)c1cc2ccccc2[nH]1
|
| ZINC263620956 | 0.600 | 287.3 Da LogP 4.69 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2c(-c3cccc4ccccc34)cccc2[nH]1
|
| ZINC338381 | 0.600 | 250.3 Da LogP 3.44 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
CN(C(=O)c1cc2ccccc2[nH]1)c1ccccc1
|
| ZINC35133185 | 0.600 | 256.3 Da LogP 3.57 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCCCCCC1
|
| ZINC6344517 | 0.600 | 253.3 Da LogP 3.66 TPSA 62.3 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2cc(Oc3ccccc3)ccc2[nH]1
|
| ZINC7911351 | 0.600 | 228.3 Da LogP 2.79 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCCCC1
|
| ZINC7912494 | 0.600 | 242.3 Da LogP 3.18 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCCCCC1
|
| ZINC2432858 | 0.594 | 287.1 Da LogP 2.47 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2cc(I)ccc2[nH]1
|
| ZINC2443762 | 0.594 | 287.1 Da LogP 2.47 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2ccc(I)cc2[nH]1
|
| ZINC12390058 | 0.583 | 271.3 Da LogP 1.47 TPSA 56.4 | ✓ Ro5 | ✓ Clean |
CC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
|
| ZINC16636620 | 0.583 | 326.4 Da LogP 4.69 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
O=C(NC(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1
|
| ZINC509902 | 0.583 | 229.3 Da LogP 1.21 TPSA 48.1 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCNCC1
|
| ZINC5531695 | 0.583 | 251.3 Da LogP 3.52 TPSA 42.1 | ✓ Ro5 | ✓ Clean |
O=C(OCc1ccccc1)c1cc2ccccc2[nH]1
|
| ZINC6649233 | 0.583 | 250.3 Da LogP 3.10 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccccc1)c1cc2ccccc2[nH]1
|
| ZINC2512141 | 0.579 | 305.4 Da LogP 3.13 TPSA 39.3 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccccc2)CC1
|
| ZINC3163645 | 0.576 | 211.2 Da LogP 3.02 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2ccc3ccccc3c2[nH]1
|
| ZINC12946715 | 0.571 | 202.3 Da LogP 2.31 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
CC(C)NC(=O)c1cc2ccccc2[nH]1
|
| ZINC9970537 | 0.571 | 217.3 Da LogP 3.12 TPSA 42.1 | ✓ Ro5 | ✓ Clean |
CC(C)(C)OC(=O)c1cc2ccccc2[nH]1
|
| ZINC19843564 | 0.568 | 232.2 Da LogP 1.37 TPSA 82.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CCNC(=O)c1cc2ccccc2[nH]1
|
| ZINC19843565 | 0.568 | 232.2 Da LogP 1.37 TPSA 82.2 | ✓ Ro5 | ✓ Clean |
C[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)O
|
| ZINC19868744 | 0.568 | 243.3 Da LogP 1.56 TPSA 39.3 | ✓ Ro5 | ✓ Clean |
CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
|
| ZINC23549857 | 0.568 | 299.4 Da LogP 2.82 TPSA 67.0 | ✓ Ro5 | ✓ Clean |
O=C(CS(=O)(=O)c1ccccc1)c1cc2ccccc2[nH]1
|
| ZINC344370 | 0.568 | 230.3 Da LogP 1.64 TPSA 45.3 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCOCC1
|
| ZINC36163408 | 0.568 | 246.3 Da LogP 2.36 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCSCC1
|
| ZINC9420925 | 0.568 | 232.2 Da LogP 1.37 TPSA 82.2 | ✓ Ro5 | ✓ Clean |
C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)O
|
| ZINC14985707 | 0.559 | 203.2 Da LogP 2.07 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
CC(=O)c1ccc2[nH]c(C(=O)O)cc2c1
|
| ZINC2582700 | 0.559 | 217.3 Da LogP 3.16 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
CC(C)(C)c1ccc2[nH]c(C(=O)O)cc2c1
|
| ZINC3748697 | 0.559 | 217.3 Da LogP 3.16 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
CC(C)(C)c1ccc2cc(C(=O)O)[nH]c2c1
|
| ZINC13956836 | 0.556 | 204.2 Da LogP 0.89 TPSA 65.1 | ✓ Ro5 | ✓ Clean |
O=C(NCCO)c1cc2ccccc2[nH]1
|
| ZINC14796789 | 0.556 | 200.2 Da LogP 2.06 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
O=C(NC1CC1)c1cc2ccccc2[nH]1
|
| ZINC15779808 | 0.556 | 260.3 Da LogP 3.88 TPSA 48.6 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)c1c[nH]c2ccccc12
|
| ZINC261232647 | 0.556 | 219.2 Da LogP 1.65 TPSA 79.4 | ✓ Ro5 | ✓ Clean |
COC(=O)c1ccc2cc(C(=O)O)[nH]c2c1
|
| ZINC38235439 | 0.556 | 204.2 Da LogP 1.80 TPSA 45.3 | ✓ Ro5 | ✓ Clean |
CON(C)C(=O)c1cc2ccccc2[nH]1
|
| ZINC13681944 | 0.553 | 294.3 Da LogP 2.72 TPSA 82.2 | ✓ Ro5 | ✓ Clean |
O=C(N[C@H](C(=O)O)c1ccccc1)c1cc2ccccc2[nH]1
|
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.