Overview
Basic information about this protein and its source genome.
- Accession
- PA4732
- Gene
- PA4732 pgi
- Status
- annotated
- Amino acids
- 554
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 52.632
- Human E-value
- 4.22e-15
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- 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.
MKHHLTPLDATQLDSWRALAAHRQELQDFRMRQAFIDDPERFKRFSFSACGLFLDFSKNLIRQDTIDLLVKLAEEARLSDAIRAMFDGEAINASERRPVLHTALRRPIGDKVLVDGVDVMPEVHRVLHQMTELVGYVHNGLWRGYTEKPITDVVNIGIGGSFLGPQLVSEALLPFAQKGVRCHYLANIDGSEFHELASRLNAETTLFIVSSKSFGTLETLKNAQAARAWYLAQGGTEEELYRHFIAVSSNKEAAIAFGIREENIFPMWDWVGGRYSLWSAIGLPIAMSIGISNFKELLSGAYNMDQHFQTAPFERNIPVLLGLLGVWYGDFWGANSHAILPYDYYLRNITDHLQQLDMESNGKSVRQDGTPVTSGTGPVIWGGVGCNGQHAYHQLLHQGTQLIPADFIVPVSSYNPVADHHQWLYANCLSQSQALMLGKSREEAEAELRAKGLPEAEVQRLAPHKVIPGNRPSNTLVVERISARRLGALIAMYEHKVYVQSILWGINAFDQWGVELGKELGKGVYSRLVGSEETPAEDASTQGLIDFFRGRHRG
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
8- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0097367 Binding to a carbohydrate derivative.
- GO:0004347 Catalysis of the reaction: alpha-D-glucose 6-phosphate = beta-D-fructose 6-phosphate.
- GO:0048029 Binding to a monosaccharide. Monosaccharides are the simplest carbohydrates; they are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H[CHOH]nC(=O)[CHOH]mH with three or more carbon atoms. They form the constitutional repeating units of oligo- and polysaccharides.
- GO:0006094 The formation of glucose from noncarbohydrate precursors, such as pyruvate, amino acids and glycerol.
- GO:0051156 The chemical reactions and pathways involving glucose 6-phosphate, a monophosphorylated derivative of glucose with the phosphate group attached to C-6.
- GO:0006096 The chemical reactions and pathways resulting in the breakdown of a carbohydrate into pyruvate, with the concomitant production of a small amount of ATP and the reduction of NAD(P) to NAD(P)H. Glycolysis begins with the metabolism of a carbohydrate to generate products that can enter the pathway and ends with the production of pyruvate. Pyruvate may be converted to acetyl-coenzyme A, ethanol, lactate, or other small molecules.
- GO:1901135 The chemical reactions and pathways involving carbohydrate derivative.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 511 | 553 | Gene3D | G3DSA:1.10.1390.10 | - |
| 511 | 553 | InterPro | IPR023096 | Phosphoglucose isomerase, C-terminal |
| 101 | 295 | Gene3D | G3DSA:3.40.50.10490 | - |
| 269 | 282 | ProSitePatterns | PS00765 | Phosphoglucose isomerase signature 1. |
| 269 | 282 | InterPro | IPR018189 | Phosphoglucose isomerase, conserved site |
| 13 | 551 | ProSiteProfiles | PS51463 | Glucose-6-phosphate isomerase family profile. |
| 13 | 551 | InterPro | IPR001672 | Phosphoglucose isomerase (PGI) |
| 335 | 524 | CDD | cd05016 | SIS_PGI_2 |
| 335 | 524 | InterPro | IPR035482 | Phosphoglucose isomerase, SIS domain 2 |
| 501 | 518 | ProSitePatterns | PS00174 | Phosphoglucose isomerase signature 2. |
| 501 | 518 | InterPro | IPR018189 | Phosphoglucose isomerase, conserved site |
| 124 | 287 | CDD | cd05015 | SIS_PGI_1 |
| 124 | 287 | InterPro | IPR035476 | Phosphoglucose isomerase, SIS domain 1 |
| 9 | 551 | SUPERFAMILY | SSF53697 | SIS domain |
| 9 | 551 | InterPro | IPR046348 | SIS domain superfamily |
| 11 | 549 | PANTHER | PTHR11469 | GLUCOSE-6-PHOSPHATE ISOMERASE |
| 11 | 549 | InterPro | IPR001672 | Phosphoglucose isomerase (PGI) |
| 55 | 545 | Pfam | PF00342 | Phosphoglucose isomerase |
| 55 | 545 | InterPro | IPR001672 | Phosphoglucose isomerase (PGI) |
| 49 | 528 | Hamap | MF_00473 | Glucose-6-phosphate isomerase [pgi]. |
| 49 | 528 | InterPro | IPR001672 | Phosphoglucose isomerase (PGI) |
| 15 | 510 | Gene3D | G3DSA:3.40.50.10490 | - |
| 153 | 172 | PRINTS | PR00662 | Glucose-6-phosphate isomerase signature |
| 153 | 172 | InterPro | IPR001672 | Phosphoglucose isomerase (PGI) |
| 501 | 514 | PRINTS | PR00662 | Glucose-6-phosphate isomerase signature |
| 501 | 514 | InterPro | IPR001672 | Phosphoglucose isomerase (PGI) |
| 469 | 487 | PRINTS | PR00662 | Glucose-6-phosphate isomerase signature |
| 469 | 487 | InterPro | IPR001672 | Phosphoglucose isomerase (PGI) |
| 487 | 501 | PRINTS | PR00662 | Glucose-6-phosphate isomerase signature |
| 487 | 501 | InterPro | IPR001672 | Phosphoglucose isomerase (PGI) |
| 342 | 363 | PRINTS | PR00662 | Glucose-6-phosphate isomerase signature |
| 342 | 363 | InterPro | IPR001672 | Phosphoglucose isomerase (PGI) |
| 265 | 283 | PRINTS | PR00662 | Glucose-6-phosphate isomerase signature |
| 265 | 283 | InterPro | IPR001672 | Phosphoglucose isomerase (PGI) |
| 101 | 295 | FunFam | G3DSA:3.40.50.10490:FF:000018 | Glucose-6-phosphate isomerase |
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
PA4732
|
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 |
|---|---|---|---|---|---|---|---|
| 1 | 0.682 | ||||||
| 4 | 0.369 |
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 |
|---|---|---|---|---|---|---|
| 6PG | Q9N1E2 | 276.1 Da LogP -3.38 TPSA 185.0 | 1 viol. | ✓ Clean |
C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O…
|
|
| A5P | P06745 | 232.1 Da LogP -2.83 TPSA 147.7 | 1 viol. | ✓ Clean |
C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O
|
|
| DER | P06745 | 216.1 Da LogP -2.10 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O
|
|
| E4P | P06745 | 200.1 Da LogP -1.98 TPSA 124.3 | ✓ Ro5 | ✓ Clean |
C([C@H]([C@H](C=O)O)O)OP(=O)(O)O
|
|
| G6Q | P13377 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O…
|
|
| O1B | P06744 | 288.2 Da LogP -3.75 TPSA 182.6 | 1 viol. | ✓ Clean |
C(CNC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N
|
|
| PA5 | Q9N1E2 | 246.1 Da LogP -2.74 TPSA 164.8 | 1 viol. | ✓ Clean |
C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O
|
|
| PG6 | P06744 | 266.3 Da LogP 0.35 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOC
|
|
| S6P | P06745 | 262.2 Da LogP -3.47 TPSA 167.9 | 1 viol. | ✓ Clean |
C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)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).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| PAN | Q9N1E2 | 7.00 | 261.1 Da LogP -3.32 TPSA 176.8 | 1 viol. | ✓ Clean |
C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O
|
| CHEMBL4129274 | P06744 | — | 851.5 Da LogP 4.76 TPSA 183.3 | 3 viol. | Alert |
C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(CCOCCOCCOCC…
|
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 |
|---|---|---|---|---|---|
| ZINC100033330 | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC100067275 | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC100889630 | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC104861723 | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O…
|
| ZINC12503760 | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC12503763 | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC1692489 | 1.000 | 222.3 Da LogP 0.33 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOC
|
| ZINC19850142 | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC2508229 | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC4530388 | 1.000 | 266.3 Da LogP 0.35 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOC
|
| ZINC4545927 | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(…
|
| ZINC4545928 | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O…
|
| ZINC4545929 | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COP(=O)(O…
|
| ZINC5701172 | 1.000 | 310.4 Da LogP 0.36 TPSA 64.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOC
|
| ZINC5997861 | 1.000 | 398.5 Da LogP 0.40 TPSA 83.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOC
|
| ZINC12501558 | 0.889 | 276.1 Da LogP -3.38 TPSA 185.0 | 1 viol. | ✓ Clean |
O=C(O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(…
|
| ZINC12501560 | 0.889 | 276.1 Da LogP -3.38 TPSA 185.0 | 1 viol. | ✓ Clean |
O=C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O…
|
| ZINC12501562 | 0.889 | 276.1 Da LogP -3.38 TPSA 185.0 | 1 viol. | ✓ Clean |
O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)…
|
| ZINC12501564 | 0.889 | 276.1 Da LogP -3.38 TPSA 185.0 | 1 viol. | ✓ Clean |
O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)(…
|
| ZINC1530556 | 0.889 | 230.1 Da LogP -2.62 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C[C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC1532623 | 0.889 | 276.1 Da LogP -3.38 TPSA 185.0 | 1 viol. | ✓ Clean |
O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(…
|
| ZINC2047359 | 0.889 | 276.1 Da LogP -3.38 TPSA 185.0 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COP(=O…
|
| ZINC22116391 | 0.889 | 230.1 Da LogP -2.62 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC2545091 | 0.889 | 276.1 Da LogP -3.38 TPSA 185.0 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O…
|
| ZINC3606137 | 0.889 | 230.1 Da LogP -2.62 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC3869426 | 0.889 | 230.1 Da LogP -2.62 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC3869602 | 0.889 | 276.1 Da LogP -3.38 TPSA 185.0 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)COP(=…
|
| ZINC3869603 | 0.889 | 276.1 Da LogP -3.38 TPSA 185.0 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O…
|
| ZINC3869604 | 0.889 | 276.1 Da LogP -3.38 TPSA 185.0 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)…
|
| ZINC8551307 | 0.889 | 230.1 Da LogP -2.62 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC8551308 | 0.889 | 230.1 Da LogP -2.62 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C[C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC1532601 | 0.750 | 200.1 Da LogP -1.98 TPSA 124.3 | ✓ Ro5 | ✓ Clean |
O=C[C@@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC32786787 | 0.750 | 200.1 Da LogP -1.98 TPSA 124.3 | ✓ Ro5 | ✓ Clean |
O=C[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC34764844 | 0.733 | 206.3 Da LogP 1.09 TPSA 36.9 | ✓ Ro5 | ✓ Clean |
CCCOCCOCCOCCOC
|
| ZINC100657408 | 0.710 | 259.2 Da LogP -3.30 TPSA 170.5 | 1 viol. | ✓ Clean |
N[C@H](C=O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC215934438 | 0.710 | 259.2 Da LogP -3.30 TPSA 170.5 | 1 viol. | ✓ Clean |
N[C@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC255961849 | 0.710 | 259.2 Da LogP -3.30 TPSA 170.5 | 1 viol. | ✓ Clean |
N[C@H](C=O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC255961850 | 0.710 | 259.2 Da LogP -3.30 TPSA 170.5 | 1 viol. | ✓ Clean |
N[C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC5132021 | 0.710 | 259.2 Da LogP -3.30 TPSA 170.5 | 1 viol. | ✓ Clean |
N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC1532902 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC2018106 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@](O)(CC(=O)O)C(=O)O
|
| ZINC140264883 | 0.688 | 223.3 Da LogP -0.43 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCON
|
| ZINC143705779 | 0.688 | 443.5 Da LogP -0.34 TPSA 118.3 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCON
|
| ZINC44076059 | 0.688 | 428.5 Da LogP -0.24 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC71254558 | 0.688 | 444.6 Da LogP 0.70 TPSA 83.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC71254563 | 0.688 | 488.6 Da LogP 0.71 TPSA 92.3 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC80685077 | 0.688 | 427.5 Da LogP -0.28 TPSA 109.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCN
|
| ZINC83253927 | 0.688 | 400.5 Da LogP 0.68 TPSA 73.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC90556279 | 0.688 | 295.4 Da LogP -0.33 TPSA 81.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCN
|
| ZINC90556287 | 0.688 | 268.4 Da LogP 0.63 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCS
|
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.