Protein profile

PA4019

aromatic acid decarboxylase

Genome: NC_002516.2

Gene: PA4019 ubiX Structure source: Experimental + AlphaFold UniProt Q9HX08

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Amino acids 209

Annotations 5

Features 13

PDB binders 8

Druggability 0.503

Overview

Basic information about this protein and its source genome.

Accession: PA4019
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA4019 ubiX
Status: annotated
Amino acids: 209
Structure source: Experimental + AlphaFold

2.5.1.129

GO:0016831 Catalysis of the nonhydrolytic addition or removal of a carboxyl group to or from a compound. GO:0106141 Catalysis of the reaction: dimethylallyl phosphate + FMNH2 = phosphate + prenyl-FMNH2. GO:0004659 Catalysis of the transfer of a prenyl group from one compound (donor) to another (acceptor). GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
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.

FPocket 0.503

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Enzyme Commission (EC)

2.5.1.129

Gene Ontology (GO)

GO:0016831 Catalysis of the nonhydrolytic addition or removal of a carboxyl group to or from a compound.
GO:0106141 Catalysis of the reaction: dimethylallyl phosphate + FMNH2 = phosphate + prenyl-FMNH2.
GO:0004659 Catalysis of the transfer of a prenyl group from one compound (donor) to another (acceptor).
GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records

Show feature table

Start	End	DB	Term	Name
1	209	Gene3D	G3DSA:3.40.50.1950	-
1	209	InterPro	IPR036551	Flavin prenyltransferase-like
6	181	Pfam	PF02441	Flavoprotein
6	181	InterPro	IPR003382	Flavoprotein
6	200	NCBIfam	TIGR00421	UbiX family flavin prenyltransferase
6	200	InterPro	IPR004507	Flavin prenyltransferase UbiX-like
6	202	SUPERFAMILY	SSF52507	Homo-oligomeric flavin-containing Cys decarboxylases, HFCD
6	202	InterPro	IPR036551	Flavin prenyltransferase-like
5	165	PANTHER	PTHR43374	FLAVIN PRENYLTRANSFERASE
5	165	InterPro	IPR004507	Flavin prenyltransferase UbiX-like
5	202	Hamap	MF_01984	Flavin prenyltransferase UbiX [ubiX].
5	202	InterPro	IPR004507	Flavin prenyltransferase UbiX-like
5	203	FunFam	G3DSA:3.40.50.1950:FF:000001	Flavin prenyltransferase UbiX

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

10 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
PDB 4ZAV	X-ray	1.40 Å	A	100.0% 1-209	PDBe RCSB PDBj File	Viewing
PDB 4ZAZ	X-ray	1.45 Å	A	100.0% 1-209	PDBe RCSB PDBj File	Loaded
PDB 3ZQU	X-ray	1.50 Å	A	100.0% 1-209	PDBe RCSB PDBj File	Loaded
PDB 4ZAY	X-ray	1.54 Å	A	100.0% 1-209	PDBe RCSB PDBj File	Loaded
PDB 4ZAX	X-ray	1.61 Å	A	100.0% 1-209	PDBe RCSB PDBj File	Loaded
PDB 4ZAL	X-ray	1.62 Å	A	100.0% 1-209	PDBe RCSB PDBj File	Loaded
PDB 4ZAG	X-ray	1.68 Å	A	100.0% 1-209	PDBe RCSB PDBj File	Loaded
PDB 4ZAF	X-ray	1.71 Å	A	100.0% 1-209	PDBe RCSB PDBj File	Loaded
PDB 4ZAN	X-ray	1.76 Å	A	100.0% 1-209	PDBe RCSB PDBj File	Loaded
PDB 4ZAW	X-ray	1.89 Å	A	100.0% 1-209	PDBe RCSB PDBj File	Loaded
AlphaFold PA4019	AlphaFold	—	—	full sequence	—	Loaded

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				0.503
2				0.271

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK	Sticks	Spheres	Surfaces	Score	Probability	Labels	Zoom	Positions
1				4.68	0.205

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				0.607
3				0.436
6				0.266

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.

33 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
4LR	6QLI	A0A072ZCW8	166.1 Da LogP 1.06 TPSA 66.8	✓ Ro5	✓ Clean	`CC(=CCOP(=O)(O)O)C`
4LS	6QLJ	A0A072ZCW8	526.5 Da LogP 0.43 TPSA 199.6	2 viol.	✓ Clean	`Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)C)C(=O)NC(=O)N3)C[…`
4LU	6QLK	A0A072ZCW8	525.5 Da LogP -0.09 TPSA 199.4	2 viol.	✓ Clean	`Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([…`
DMA	6QLG	A3F715	246.1 Da LogP 1.18 TPSA 113.3	✓ Ro5	✓ Clean	`CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C`
FNR	6QLH	A0A072ZCW8	458.4 Da LogP -0.93 TPSA 208.4	1 viol.	✓ Clean	`Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C…`
HJN	6QLV	A0A072ZCW8	594.6 Da LogP 2.15 TPSA 199.6	2 viol.	✓ Clean	`Cc1cc2c(cc1C)N(C3=C(N2C/C=C(/C)\CCC=C(C)C)C(=O)…`
HZZ	6QLV	A0A072ZCW8	234.2 Da LogP 2.79 TPSA 66.8	✓ Ro5	✓ Clean	`CC(=CCC/C(=C\COP(=O)(O)O)/C)C`
IP8	6QLH	A0A072ZCW8	166.1 Da LogP 1.06 TPSA 66.8	✓ Ro5	✓ Clean	`CC(=C)CCOP(=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
ZINC1532829	1.000	234.2 Da LogP 2.79 TPSA 66.8	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/COP(=O)(O)O`
ZINC8215740	0.692	246.1 Da LogP 1.18 TPSA 113.3	✓ Ro5	✓ Clean	`CC(C)=CCO[P@@](=O)(O)OP(=O)(O)O`
ZINC2556391	0.655	302.4 Da LogP 4.51 TPSA 66.8	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)O`
ZINC71769106	0.643	326.1 Da LogP 1.30 TPSA 159.8	✓ Ro5	✓ Clean	`CC(C)=CCO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O`
ZINC1677808	0.528	210.3 Da LogP 3.63 TPSA 26.3	✓ Ro5	✓ Clean	`CCC(=O)OC/C=C(\C)CCC=C(C)C`
ZINC1850861	0.528	224.3 Da LogP 3.88 TPSA 26.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/COC(=O)C(C)C`
ZINC1850863	0.528	224.3 Da LogP 3.88 TPSA 26.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C\COC(=O)C(C)C`
ZINC1851030	0.528	210.3 Da LogP 3.63 TPSA 26.3	✓ Ro5	✓ Clean	`CCC(=O)OC/C=C(/C)CCC=C(C)C`
ZINC2038091181	0.528	224.3 Da LogP 3.88 TPSA 26.3	✓ Ro5	✓ Clean	`CC(C)=CCCC(C)=CCOC(=O)C(C)C`
ZINC1677814	0.514	224.3 Da LogP 4.02 TPSA 26.3	✓ Ro5	✓ Clean	`CCCC(=O)OC/C=C(\C)CCC=C(C)C`
ZINC1716708	0.514	238.3 Da LogP 3.20 TPSA 43.4	✓ Ro5	✓ Clean	`CC(=O)CC(=O)OC/C=C(\C)CCC=C(C)C`
ZINC1850911	0.514	224.3 Da LogP 4.02 TPSA 26.3	✓ Ro5	✓ Clean	`CCCC(=O)OC/C=C(/C)CCC=C(C)C`
ZINC2036789	0.514	236.4 Da LogP 4.19 TPSA 26.3	✓ Ro5	✓ Clean	`C/C=C(\C)C(=O)OC/C=C(\C)CCC=C(C)C`
ZINC2036790	0.514	236.4 Da LogP 4.19 TPSA 26.3	✓ Ro5	✓ Clean	`C/C=C(/C)C(=O)OC/C=C(\C)CCC=C(C)C`
ZINC2036791	0.514	236.4 Da LogP 4.19 TPSA 26.3	✓ Ro5	✓ Clean	`C/C=C(\C)C(=O)OC/C=C(/C)CCC=C(C)C`
ZINC2036792	0.514	236.4 Da LogP 4.19 TPSA 26.3	✓ Ro5	✓ Clean	`C/C=C(/C)C(=O)OC/C=C(/C)CCC=C(C)C`
ZINC2053466651	0.514	224.3 Da LogP 4.02 TPSA 26.3	✓ Ro5	✓ Clean	`CCCC(=O)OCC=C(C)CCC=C(C)C`
ZINC5082886	0.514	238.3 Da LogP 3.20 TPSA 43.4	✓ Ro5	✓ Clean	`CC(=O)CC(=O)OC/C=C(/C)CCC=C(C)C`
ZINC1632634	0.500	222.3 Da LogP 3.80 TPSA 26.3	✓ Ro5	✓ Clean	`C/C=C/C(=O)OC/C=C(/C)CCC=C(C)C`
ZINC17014702	0.500	222.3 Da LogP 3.80 TPSA 26.3	✓ Ro5	✓ Clean	`C/C=C/C(=O)OC/C=C(\C)CCC=C(C)C`
ZINC17378881	0.500	222.3 Da LogP 3.80 TPSA 26.3	✓ Ro5	✓ Clean	`C/C=C\C(=O)OC/C=C(/C)CCC=C(C)C`
ZINC2038251	0.500	238.4 Da LogP 4.27 TPSA 26.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/COC(=O)CC(C)C`
ZINC2038252	0.500	238.4 Da LogP 4.27 TPSA 26.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C\COC(=O)CC(C)C`
ZINC4974305	0.500	222.3 Da LogP 3.80 TPSA 26.3	✓ Ro5	✓ Clean	`C/C=C\C(=O)OC/C=C(\C)CCC=C(C)C`
ZINC8215849	0.500	314.2 Da LogP 2.91 TPSA 113.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/CO[P@@](=O)(O)OP(=O)(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.