Overview
Basic information about this protein and its source genome.
- Accession
- PA5092
- Gene
- hutI PA5092
- Status
- annotated
- Amino acids
- 402
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 37.374
- Human E-value
- 1.4399999999999999e-68
- 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.
MKRLWQHCHAATLKGGKYSIVEDAALVTDGPLIHWIGPRAELPPGDYAERIDLGGAWLTPGLIDCHTHAVFGGNRSGEFEQRLEGVSYAEIAAAGGGIASTVRATREASEEELLASARKRLEPLLRDGVTALEIKSGYGLDLASERKMLRVIRRLGERLPATVRSTCLAAHALPPEYAGRADDYIEHICSTMLPALAGEGLVDAVDAFCEHLAFSPAQVERVFIAARELGLPVKLHAEQLSSLHGSSLAARYRALSADHLEYMTEDDARAMGEAGTVAVLLPGAFYLLRETQLPPIDALRRHGVAMAIASDLNPGTSPALSLRLMLNMACTLFRLTPEETLAGVTLHAARALGLEASHGSLEVGKLADFVAWDIERPAELAYWLGGDLPKRVIRHAEEVYRG
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
10- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0050480 Catalysis of the reaction: (S)-3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid + H2O = N-formimidoyl-L-glutamate + H+.
- GO:0005506 Binding to an iron (Fe) ion.
- GO:0008270 Binding to a zinc ion (Zn).
- GO:0006548 The chemical reactions and pathways resulting in the breakdown of L-histidine.
- GO:0019556 OBSOLETE. The chemical reactions and pathways resulting in the breakdown of L-histidine into other compounds, including glutamate and formamide.
- GO:0019557 OBSOLETE. The chemical reactions and pathways resulting in the breakdown of L-histidine into other compounds, including glutamate and formate.
- GO:0016810 Catalysis of the hydrolysis of any carbon-nitrogen bond, C-N, with the exception of peptide bonds.
- GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.
- GO:0016812 Catalysis of the hydrolysis of any non-peptide carbon-nitrogen bond in a cyclic amide.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 61 | 359 | Gene3D | G3DSA:3.20.20.140 | - |
| 16 | 400 | PANTHER | PTHR42752 | IMIDAZOLONEPROPIONASE |
| 16 | 400 | InterPro | IPR005920 | Imidazolonepropionase |
| 60 | 360 | SUPERFAMILY | SSF51556 | Metallo-dependent hydrolases |
| 60 | 360 | InterPro | IPR032466 | Metal-dependent hydrolase |
| 26 | 394 | CDD | cd01296 | Imidazolone-5PH |
| 26 | 394 | InterPro | IPR005920 | Imidazolonepropionase |
| 22 | 394 | NCBIfam | TIGR01224 | imidazolonepropionase |
| 22 | 394 | InterPro | IPR005920 | Imidazolonepropionase |
| 61 | 359 | FunFam | G3DSA:3.20.20.140:FF:000007 | Imidazolonepropionase |
| 58 | 376 | Pfam | PF01979 | Amidohydrolase family |
| 58 | 376 | InterPro | IPR006680 | Amidohydrolase-related |
| 2 | 399 | Hamap | MF_00372 | Imidazolonepropionase [hutI]. |
| 2 | 399 | InterPro | IPR005920 | Imidazolonepropionase |
| 9 | 392 | Gene3D | G3DSA:2.30.40.10 | Urease, subunit C, domain 1 |
| 9 | 392 | InterPro | IPR011059 | Metal-dependent hydrolase, composite domain superfamily |
| 1 | 399 | SUPERFAMILY | SSF51338 | Composite domain of metallo-dependent hydrolases |
| 1 | 399 | InterPro | IPR011059 | Metal-dependent hydrolase, composite domain superfamily |
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
PA5092
|
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 | 0.696 |
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 |
|---|---|---|---|---|---|---|
| DI6 | A0KF84 | 172.1 Da LogP -0.94 TPSA 95.5 | ✓ Ro5 | ✓ Clean |
C(CC(=O)O)[C@H]1C(=O)NC(=O)N1
|
|
| IZC | P42084 | 126.1 Da LogP -0.06 TPSA 62.0 | ✓ Ro5 | ✓ Clean |
C1N=CC(=N1)CC(=O)O
|
|
| MCF | Q9HZ64 | 314.4 Da LogP -0.84 TPSA 112.1 | ✓ Ro5 | ✓ Clean |
CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CNC[C…
|
|
| NIG | Q8U8Z6 | 174.2 Da LogP -0.50 TPSA 110.5 | ✓ Ro5 | ✓ Clean |
[H]/N=C\N[C@@H](CCC(=O)O)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 |
|---|---|---|---|---|---|
| ZINC4095697 | 0.750 | 284.3 Da LogP -2.21 TPSA 132.4 | ✓ Ro5 | ✓ Clean |
OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)[C@H](O)[C…
|
| ZINC116840878 | 0.704 | 258.2 Da LogP -1.30 TPSA 132.8 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@@H]1NC(=O)[C@@H](CCC(=O)O)NC1=O
|
| ZINC2560884 | 0.704 | 258.2 Da LogP -1.30 TPSA 132.8 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@H]1NC(=O)[C@@H](CCC(=O)O)NC1=O
|
| ZINC4899712 | 0.704 | 258.2 Da LogP -1.30 TPSA 132.8 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC1=O
|
| ZINC3208092 | 0.655 | 200.2 Da LogP -1.17 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
O=C(O)CCC1C(=O)NC(=O)NC1=O
|
| ZINC22215812 | 0.600 | 220.2 Da LogP 1.28 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@@H]1Nc2ccccc2NC1=O
|
| ZINC22215815 | 0.600 | 220.2 Da LogP 1.28 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@H]1Nc2ccccc2NC1=O
|
| ZINC8076668 | 0.576 | 200.2 Da LogP -1.15 TPSA 95.5 | ✓ Ro5 | ✓ Clean |
C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC1=O
|
| ZINC13308055 | 0.574 | 280.3 Da LogP -1.63 TPSA 123.1 | ✓ Ro5 | ✓ Clean |
OCC1=C[C@H](n2cnc3c2N=CNC[C@@H]3O)[C@@H](O)[C@H…
|
| ZINC13308059 | 0.574 | 280.3 Da LogP -1.63 TPSA 123.1 | ✓ Ro5 | ✓ Clean |
OCC1=C[C@H](n2cnc3c2N=CNC[C@@H]3O)[C@@H](O)[C@@…
|
| ZINC146793457 | 0.574 | 280.3 Da LogP -1.63 TPSA 123.1 | ✓ Ro5 | ✓ Clean |
OCC1=C[C@H](n2cnc3c2N=CNC[C@@H]3O)[C@H](O)[C@@H…
|
| ZINC257602974 | 0.574 | 280.3 Da LogP -1.63 TPSA 123.1 | ✓ Ro5 | ✓ Clean |
OCC1=C[C@H](n2cnc3c2N=CNC[C@@H]3O)[C@H](O)[C@H]…
|
| ZINC1116258333 | 0.568 | 253.3 Da LogP 0.37 TPSA 78.5 | ✓ Ro5 | ✓ Clean |
C[C@H]1CC[C@@H](C)N1C(=O)CC[C@@H]1NC(=O)NC1=O
|
| ZINC32843863 | 0.568 | 267.3 Da LogP 0.77 TPSA 78.5 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)[C@H](CCC(=O)N2CCCCCCC2)N1
|
| ZINC32843864 | 0.568 | 267.3 Da LogP 0.77 TPSA 78.5 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)[C@@H](CCC(=O)N2CCCCCCC2)N1
|
| ZINC46463395 | 0.568 | 253.3 Da LogP 0.38 TPSA 78.5 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)[C@H](CCC(=O)N2CCCCCC2)N1
|
| ZINC14649463 | 0.564 | 268.3 Da LogP -1.18 TPSA 112.1 | ✓ Ro5 | ✓ Clean |
OC[C@@H]1O[C@H](n2cnc3c2N=CNC[C@@H]3O)C[C@@H]1O
|
| ZINC26000412 | 0.564 | 268.3 Da LogP -1.18 TPSA 112.1 | ✓ Ro5 | ✓ Clean |
OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@H]1O
|
| ZINC3806262 | 0.564 | 268.3 Da LogP -1.18 TPSA 112.1 | ✓ Ro5 | ✓ Clean |
OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O
|
| ZINC42490718 | 0.564 | 268.3 Da LogP -1.18 TPSA 112.1 | ✓ Ro5 | ✓ Clean |
OC[C@@H]1O[C@@H](n2cnc3c2N=CNC[C@@H]3O)C[C@H]1O
|
| ZINC8643194 | 0.564 | 268.3 Da LogP -1.18 TPSA 112.1 | ✓ Ro5 | ✓ Clean |
OC[C@@H]1O[C@H](n2cnc3c2N=CNC[C@@H]3O)C[C@H]1O
|
| ZINC14141965 | 0.553 | 267.3 Da LogP 0.81 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
O=C(CC[C@@H]1NC(=O)NC1=O)NC1CCCCCC1
|
| ZINC14141966 | 0.553 | 267.3 Da LogP 0.81 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
O=C(CC[C@H]1NC(=O)NC1=O)NC1CCCCCC1
|
| ZINC952984289 | 0.553 | 257.3 Da LogP -0.06 TPSA 78.5 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)[C@H](CCC(=O)N2CCC(F)CC2)N1
|
| ZINC220160890 | 0.543 | 242.3 Da LogP -0.12 TPSA 95.5 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H]1NC(=O)[C@@H](CCC(=O)O)NC1=O
|
| ZINC220160960 | 0.543 | 242.3 Da LogP -0.12 TPSA 95.5 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@@H]1NC(=O)[C@@H](CCC(=O)O)NC1=O
|
| ZINC220161024 | 0.543 | 242.3 Da LogP -0.12 TPSA 95.5 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H]1NC(=O)[C@H](CCC(=O)O)NC1=O
|
| ZINC35079158 | 0.543 | 242.3 Da LogP -0.12 TPSA 95.5 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC1=O
|
| ZINC2161326 | 0.538 | 248.2 Da LogP 0.60 TPSA 95.5 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@@H]1NC(=O)c2ccccc2NC1=O
|
| ZINC49215456 | 0.538 | 257.3 Da LogP -0.45 TPSA 78.5 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)[C@H](CCC(=O)N2CCSCC2)N1
|
| ZINC580072 | 0.538 | 248.2 Da LogP 0.60 TPSA 95.5 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@H]1NC(=O)c2ccccc2NC1=O
|
| ZINC585079693 | 0.538 | 281.4 Da LogP 0.77 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
CC1(C)C(CNC(=O)CC[C@H]2NC(=O)NC2=O)C1(C)C
|
| ZINC585079694 | 0.538 | 281.4 Da LogP 0.77 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
CC1(C)C(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1(C)C
|
| ZINC642014463 | 0.537 | 337.4 Da LogP 1.88 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
O=C(CC[C@@H]1NC(=O)NC1=O)NC(c1ccccc1)c1ccccc1
|
| ZINC33023504 | 0.525 | 281.7 Da LogP 1.27 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
O=C(CC[C@@H]1NC(=O)NC1=O)Nc1ccc(Cl)cc1
|
| ZINC33023506 | 0.525 | 281.7 Da LogP 1.27 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
O=C(CC[C@H]1NC(=O)NC1=O)Nc1ccc(Cl)cc1
|
| ZINC33023984 | 0.525 | 265.2 Da LogP 0.75 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
O=C(CC[C@@H]1NC(=O)NC1=O)Nc1ccc(F)cc1
|
| ZINC33023987 | 0.525 | 265.2 Da LogP 0.75 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
O=C(CC[C@H]1NC(=O)NC1=O)Nc1ccc(F)cc1
|
| ZINC952962109 | 0.525 | 267.2 Da LogP -0.00 TPSA 78.5 | ✓ Ro5 | ✓ Clean |
CN(CC(F)(F)F)C(=O)CC[C@@H]1NC(=O)NC1=O
|
| ZINC952983648 | 0.525 | 239.3 Da LogP 0.03 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
CC1(NC(=O)CC[C@@H]2NC(=O)NC2=O)CCC1
|
| ZINC31971003 | 0.524 | 275.3 Da LogP 0.33 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
O=C(CC[C@@H]1NC(=O)NC1=O)NCCc1ccccc1
|
| ZINC31971004 | 0.524 | 275.3 Da LogP 0.33 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
O=C(CC[C@H]1NC(=O)NC1=O)NCCc1ccccc1
|
| ZINC375284974 | 0.524 | 309.4 Da LogP 0.39 TPSA 87.7 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)[C@H](CCC(=O)N2CCC3(CCOCC3)CC2)N1
|
| ZINC817863294 | 0.524 | 285.3 Da LogP -0.41 TPSA 124.6 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)O
|
| ZINC3290147 | 0.514 | 204.2 Da LogP 0.83 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)[C@H](CCc2ccccc2)N1
|
| ZINC3290149 | 0.514 | 204.2 Da LogP 0.83 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)[C@@H](CCc2ccccc2)N1
|
| ZINC1800410722 | 0.512 | 281.3 Da LogP -0.80 TPSA 98.7 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)[C@H](CCC(=O)N2C[C@H]3C[C@@H](O)C[C@H…
|
| ZINC32845420 | 0.512 | 281.4 Da LogP 1.01 TPSA 78.5 | ✓ Ro5 | ✓ Clean |
CC1CCC(N(C)C(=O)CC[C@H]2NC(=O)NC2=O)CC1
|
| ZINC68193206 | 0.512 | 326.1 Da LogP 1.38 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
O=C(CC[C@H]1NC(=O)NC1=O)Nc1ccc(Br)cc1
|
| ZINC68193207 | 0.512 | 326.1 Da LogP 1.38 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
O=C(CC[C@@H]1NC(=O)NC1=O)Nc1ccc(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.