Amino acids
262
Annotations
7
Features
24
PDB binders
7
Druggability
0.8
Overview
Basic information about this protein and its source genome.
- Accession
- PA0872
- Gene
- PA0872 phhA
- Status
- annotated
- Amino acids
- 262
- Structure source
- AlphaFold
EC
GO
GO:0005506 Binding to an iron (Fe) ion.
GO:0004497 Catalysis of the incorporation of one atom of molecular oxygen (O2) into the substrate and the reduction of the other atom of O2 to water.
GO:0004505 Catalysis of the reaction: L-phenylalanine + tetrahydrobiopterin + O2 = L-tyrosine + 4-alpha-hydroxytetrahydrobiopterin.
GO:0006559 The chemical reactions and pathways resulting in the breakdown of L-phenylalanine.
GO:0009072 The chemical reactions and pathways involving aromatic amino acid family, amino acids with aromatic ring (phenylalanine, tyrosine, tryptophan).
GO:0016714 Catalysis of an oxidation-reduction (redox) reaction in which hydrogen or electrons are transferred from reduced pteridine and one other donor, and one atom of oxygen is incorporated into one donor.
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 44.928
- Human E-value
- 2.72e-13
- 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.
FPocket
0.8
Sequence
Primary amino-acid sequence viewer.
MKTTQYVARQPDDNGFIHYPETEHQVWNTLITRQLKVIEGRACQEYLDGIEQLGLPHERIPQLDEINRVLQATTGWRVARVPALIPFQTFFELLASQQFPVATFIRTPEELDYLQEPDIFHEIFGHCPLLTNPWFAEFTHTYGKLGLKASKEERVFLARLYWMTIEFGLVETDQGKRIYGGGILSSPKETVYSLSDEPLHQAFNPLEAMRTPYRIDILQPLYFVLPDLKRLFQLAQEDIMALVHEAMRLGLHAPLFPPKQAA
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
1 EC
6 GO
Enzyme Commission (EC)
1Gene Ontology (GO)
6- GO:0005506 Binding to an iron (Fe) ion.
- GO:0004497 Catalysis of the incorporation of one atom of molecular oxygen (O2) into the substrate and the reduction of the other atom of O2 to water.
- GO:0004505 Catalysis of the reaction: L-phenylalanine + tetrahydrobiopterin + O2 = L-tyrosine + 4-alpha-hydroxytetrahydrobiopterin.
- GO:0006559 The chemical reactions and pathways resulting in the breakdown of L-phenylalanine.
- GO:0009072 The chemical reactions and pathways involving aromatic amino acid family, amino acids with aromatic ring (phenylalanine, tyrosine, tryptophan).
- GO:0016714 Catalysis of an oxidation-reduction (redox) reaction in which hydrogen or electrons are transferred from reduced pteridine and one other donor, and one atom of oxygen is incorporated into one donor.
Sequence Features
Domain/signature hits from InterPro and related databases.
24 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 16 | 229 | Pfam | PF00351 | Biopterin-dependent aromatic amino acid hydroxylase |
| 16 | 229 | InterPro | IPR019774 | Aromatic amino acid hydroxylase, C-terminal |
| 3 | 248 | SUPERFAMILY | SSF56534 | Aromatic aminoacid monoxygenases, catalytic and oligomerization domains |
| 3 | 248 | InterPro | IPR036329 | Aromatic amino acid monoxygenase, C-terminal domain superfamily |
| 12 | 232 | PANTHER | PTHR11473 | AROMATIC AMINO ACID HYDROXYLASE |
| 12 | 232 | InterPro | IPR001273 | Aromatic amino acid hydroxylase |
| 9 | 254 | NCBIfam | TIGR01267 | phenylalanine 4-monooxygenase |
| 9 | 254 | InterPro | IPR005960 | Phenylalanine-4-hydroxylase, monomeric form |
| 1 | 262 | ProSiteProfiles | PS51410 | Biopterin-dependent aromatic amino acid hydroxylase family profile. |
| 1 | 262 | InterPro | IPR019774 | Aromatic amino acid hydroxylase, C-terminal |
| 9 | 233 | CDD | cd03348 | pro_PheOH |
| 9 | 233 | InterPro | IPR005960 | Phenylalanine-4-hydroxylase, monomeric form |
| 117 | 128 | ProSitePatterns | PS00367 | Biopterin-dependent aromatic amino acid hydroxylases signature. |
| 117 | 128 | InterPro | IPR018301 | Aromatic amino acid hydroxylase, iron/copper binding site |
| 74 | 96 | PRINTS | PR00372 | Biopterin-dependent aromatic amino acid hydroxylase signature |
| 74 | 96 | InterPro | IPR019774 | Aromatic amino acid hydroxylase, C-terminal |
| 138 | 157 | PRINTS | PR00372 | Biopterin-dependent aromatic amino acid hydroxylase signature |
| 138 | 157 | InterPro | IPR019774 | Aromatic amino acid hydroxylase, C-terminal |
| 209 | 228 | PRINTS | PR00372 | Biopterin-dependent aromatic amino acid hydroxylase signature |
| 209 | 228 | InterPro | IPR019774 | Aromatic amino acid hydroxylase, C-terminal |
| 178 | 196 | PRINTS | PR00372 | Biopterin-dependent aromatic amino acid hydroxylase signature |
| 178 | 196 | InterPro | IPR019774 | Aromatic amino acid hydroxylase, C-terminal |
| 1 | 262 | Gene3D | G3DSA:1.10.800.10 | Aromatic amino acid hydroxylase |
| 1 | 262 | InterPro | IPR036951 | Aromatic amino acid hydroxylase 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...
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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
PA0872
|
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 | 0.8 | ||||||
| 2 | 0.29 |
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.
58 records
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 |
|---|---|---|---|---|---|---|
| DAH | P00439 | 197.2 Da LogP 0.05 TPSA 103.8 | ✓ Ro5 | Alert |
c1cc(c(cc1C[C@@H](C(=O)O)N)O)O
|
|
| H2B | P00439 | 239.2 Da LogP -2.61 TPSA 132.7 | ✓ Ro5 | ✓ Clean |
C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O
|
|
| HBI | P00439 | 239.2 Da LogP -1.41 TPSA 136.6 | ✓ Ro5 | ✓ Clean |
C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O
|
|
| LDP | P00439 | 153.2 Da LogP 0.60 TPSA 66.5 | ✓ Ro5 | Alert |
c1cc(c(cc1CCN)O)O
|
|
| LNR | P00439 | 169.2 Da LogP 0.09 TPSA 86.7 | ✓ Ro5 | Alert |
c1cc(c(cc1[C@H](CN)O)O)O
|
|
| PIN | Q54XS1 | 302.4 Da LogP -1.62 TPSA 115.2 | ✓ Ro5 | ✓ Clean |
C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O
|
|
| XDE | P00439 | 183.2 Da LogP 0.35 TPSA 72.7 | ✓ Ro5 | Alert |
CNC[C@H](c1ccc(c(c1)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 |
|---|---|---|---|---|---|---|
| IYR | P04177 | 8.85 | 307.1 Da LogP 0.95 TPSA 83.5 | ✓ Ro5 | ✓ Clean |
c1cc(c(cc1C[C@@H](C(=O)O)N)I)O
|
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 |
|---|---|---|---|---|---|
| ZINC18181336 | 1.000 | 239.2 Da LogP -1.41 TPSA 136.6 | ✓ Ro5 | ✓ Clean |
C[C@H](O)[C@H](O)C1=Nc2c(nc(N)[nH]c2=O)NC1
|
| ZINC19364835 | 1.000 | 302.4 Da LogP -1.62 TPSA 115.2 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1
|
| ZINC95617488 | 1.000 | 239.2 Da LogP -1.41 TPSA 136.6 | ✓ Ro5 | ✓ Clean |
C[C@@H](O)[C@@H](O)C1=Nc2c(nc(N)[nH]c2=O)NC1
|
| ZINC19594730 | 0.857 | 316.4 Da LogP -1.23 TPSA 115.2 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCN1CCCN(CCS(=O)(=O)O)CC1
|
| ZINC71404929 | 0.857 | 330.4 Da LogP -0.84 TPSA 115.2 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCN1CCCCN(CCS(=O)(=O)O)CC1
|
| ZINC19203136 | 0.818 | 238.3 Da LogP -1.52 TPSA 81.1 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCN1CCN(CCO)CC1
|
| ZINC113264413 | 0.778 | 317.4 Da LogP 3.98 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)O
|
| ZINC113264415 | 0.778 | 317.4 Da LogP 3.98 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)O
|
| ZINC2244337 | 0.778 | 241.3 Da LogP 2.31 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O
|
| ZINC2244338 | 0.778 | 241.3 Da LogP 2.31 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O
|
| ZINC1834294 | 0.769 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1cccc(C[C@H](N)C(=O)O)c1)C(=O)O
|
| ZINC1834295 | 0.769 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1cccc(C[C@@H](N)C(=O)O)c1)C(=O)O
|
| ZINC1834297 | 0.769 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1cccc(C[C@@H](N)C(=O)O)c1)C(=O)O
|
| ZINC3869856 | 0.744 | 255.2 Da LogP -2.44 TPSA 156.8 | 1 viol. | ✓ Clean |
Nc1nc2c(c(=O)[nH]1)N=C([C@@H](O)[C@H](O)CO)CN2
|
| ZINC4096578 | 0.744 | 255.2 Da LogP -2.44 TPSA 156.8 | 1 viol. | ✓ Clean |
Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2
|
| ZINC39351856 | 0.731 | 328.4 Da LogP 1.26 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)cc1)C…
|
| ZINC19798476 | 0.727 | 330.4 Da LogP -0.84 TPSA 115.2 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCCN1CCN(CCCS(=O)(=O)O)CC1
|
| ZINC2561081 | 0.724 | 269.3 Da LogP 1.87 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
|
| ZINC2561082 | 0.724 | 269.3 Da LogP 1.87 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
|
| ZINC106880003 | 0.719 | 201.7 Da LogP 1.30 TPSA 52.5 | ✓ Ro5 | ✓ Clean |
CNC[C@H](O)c1ccc(Cl)c(O)c1
|
| ZINC106880005 | 0.719 | 201.7 Da LogP 1.30 TPSA 52.5 | ✓ Ro5 | ✓ Clean |
CNC[C@@H](O)c1ccc(Cl)c(O)c1
|
| ZINC77284969 | 0.719 | 246.1 Da LogP 1.41 TPSA 52.5 | ✓ Ro5 | ✓ Clean |
CNC[C@H](O)c1ccc(Br)c(O)c1
|
| ZINC77284972 | 0.719 | 246.1 Da LogP 1.41 TPSA 52.5 | ✓ Ro5 | ✓ Clean |
CNC[C@@H](O)c1ccc(Br)c(O)c1
|
| ZINC13354682 | 0.703 | 321.1 Da LogP 1.04 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
COC(=O)[C@H](N)Cc1ccc(O)c(I)c1
|
| ZINC13354686 | 0.703 | 321.1 Da LogP 1.04 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
COC(=O)[C@@H](N)Cc1ccc(O)c(I)c1
|
| ZINC202880439 | 0.703 | 320.1 Da LogP 0.61 TPSA 75.4 | ✓ Ro5 | ✓ Clean |
CNC(=O)[C@H](N)Cc1ccc(O)c(I)c1
|
| ZINC202880453 | 0.703 | 320.1 Da LogP 0.61 TPSA 75.4 | ✓ Ro5 | ✓ Clean |
CNC(=O)[C@@H](N)Cc1ccc(O)c(I)c1
|
| ZINC113539705 | 0.700 | 265.3 Da LogP 2.04 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(C#Cc2ccccc2)cc1)C(=O)O
|
| ZINC113539708 | 0.700 | 265.3 Da LogP 2.04 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(C#Cc2ccccc2)cc1)C(=O)O
|
| ZINC116910786 | 0.700 | 269.3 Da LogP 3.06 TPSA 88.0 | ✓ Ro5 | Alert |
N[C@@H](Cc1ccc(/N=N/c2ccccc2)cc1)C(=O)O
|
| ZINC29566843 | 0.700 | 241.3 Da LogP 2.31 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1cccc(-c2ccccc2)c1)C(=O)O
|
| ZINC29570997 | 0.700 | 241.3 Da LogP 2.31 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1cccc(-c2ccccc2)c1)C(=O)O
|
| ZINC44283581 | 0.700 | 257.3 Da LogP 2.43 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O
|
| ZINC44283583 | 0.700 | 257.3 Da LogP 2.43 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O
|
| ZINC19371704 | 0.696 | 358.5 Da LogP -0.06 TPSA 115.2 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCCCN1CCN(CCCCS(=O)(=O)O)CC1
|
| ZINC2111574 | 0.692 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccccc1C[C@H](N)C(=O)O)C(=O)O
|
| ZINC2111575 | 0.692 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccccc1C[C@@H](N)C(=O)O)C(=O)O
|
| ZINC2111578 | 0.692 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccccc1C[C@@H](N)C(=O)O)C(=O)O
|
| ZINC12648269 | 0.690 | 237.3 Da LogP 0.73 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@H](C[C@@H](Cc1ccccc1)C(=O)O)C(=O)O
|
| ZINC1616445 | 0.690 | 354.5 Da LogP 0.36 TPSA 110.2 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@H](N)Cc1cccc…
|
| ZINC1616446 | 0.690 | 354.5 Da LogP 0.36 TPSA 110.2 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@H](N)Cc1ccccc1
|
| ZINC1616447 | 0.690 | 354.5 Da LogP 0.36 TPSA 110.2 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@@H](N)Cc1ccc…
|
| ZINC5225893 | 0.690 | 237.3 Da LogP 0.73 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](C[C@H](Cc1ccccc1)C(=O)O)C(=O)O
|
| ZINC133159 | 0.688 | 271.3 Da LogP 2.22 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
|
| ZINC133162 | 0.688 | 271.3 Da LogP 2.22 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
|
| ZINC56652 | 0.688 | 211.3 Da LogP 1.13 TPSA 72.7 | ✓ Ro5 | Alert |
CC(C)NC[C@H](O)c1ccc(O)c(O)c1
|
| ZINC56653 | 0.688 | 211.3 Da LogP 1.13 TPSA 72.7 | ✓ Ro5 | Alert |
CC(C)NC[C@@H](O)c1ccc(O)c(O)c1
|
| ZINC32333 | 0.679 | 244.1 Da LogP 1.40 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(Br)cc1)C(=O)O
|
| ZINC4202287 | 0.679 | 209.2 Da LogP 0.34 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(C(=O)O)cc1)C(=O)O
|
| ZINC6506146 | 0.679 | 223.2 Da LogP 0.27 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(CC(=O)O)cc1)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.