Protein profile

PA4858

hypothetical protein

Genome: NC_002516.2

Gene: PA4858 Structure source: AlphaFold UniProt Q9HUV5

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Amino acids 421

Annotations 1

Features 23

PDB binders 2

Druggability 0.355

Overview

Basic information about this protein and its source genome.

Accession: PA4858
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA4858
Status: annotated
Amino acids: 421
Structure source: AlphaFold

GO:0006865 The directed movement of amino acids, organic acids containing one or more amino substituents, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): Y
Localization: Unknown

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 0.355

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

GO:0006865 The directed movement of amino acids, organic acids containing one or more amino substituents, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.

Sequence Features

Domain/signature hits from InterPro and related databases.

23 records

Show feature table

Start	End	DB	Term	Name
1	27	Phobius	SIGNAL_PEPTIDE	Signal peptide region
30	408	SUPERFAMILY	SSF53822	Periplasmic binding protein-like I
30	408	InterPro	IPR028082	Periplasmic binding protein-like I
34	375	Gene3D	G3DSA:3.40.50.2300	-
28	421	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	5	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
1	27	SignalP_EUK	SignalP-noTM	SignalP-noTM
1	416	PANTHER	PTHR47628	-
32	394	CDD	cd06355	PBP1_FmdD-like
32	394	InterPro	IPR017777	Urea ABC transporter, substrate-binding protein UrtA-like
31	407	Pfam	PF13433	Periplasmic binding protein domain
6	17	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
31	47	PRINTS	PR00337	Leu/Ile/Val-binding protein family signature
31	47	InterPro	IPR000709	Leu/Ile/Val-binding protein
290	303	PRINTS	PR00337	Leu/Ile/Val-binding protein family signature
290	303	InterPro	IPR000709	Leu/Ile/Val-binding protein
53	69	PRINTS	PR00337	Leu/Ile/Val-binding protein family signature
53	69	InterPro	IPR000709	Leu/Ile/Val-binding protein
1	27	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
18	27	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
146	390	Gene3D	G3DSA:3.40.50.2300	-
31	404	NCBIfam	TIGR03407	urea ABC transporter substrate-binding protein
31	404	InterPro	IPR017777	Urea ABC transporter, substrate-binding protein UrtA-like

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 + 1

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold PA4858	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
3				0.355
6				0.281

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.

52 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
ACM	1PEA	P27017	59.1 Da LogP -0.51 TPSA 43.1	✓ Ro5	✓ Clean	`CC(=O)N`
BMD	1QNL	P27017	87.1 Da LogP 0.27 TPSA 43.1	✓ Ro5	✓ Clean	`CCCC(=O)N`

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
ZINC1693895	0.632	227.4 Da LogP 4.17 TPSA 43.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(N)=O`
ZINC2170606	0.632	213.4 Da LogP 3.78 TPSA 43.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(N)=O`
ZINC86040350	0.632	241.4 Da LogP 4.56 TPSA 43.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCC(N)=O`
ZINC8689949	0.632	255.4 Da LogP 4.95 TPSA 43.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCC(N)=O`
ZINC2384798	0.607	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC1569727	0.593	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC1569728	0.593	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC1569729	0.593	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@H](C)C(=O)O`
ZINC1569730	0.593	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@H](C)C(=O)O`
ZINC2391059	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](C)CC`
ZINC2522597	0.586	246.3 Da LogP -0.60 TPSA 129.7	✓ Ro5	✓ Clean	`CC(C)C[C@H](NC(=O)C[C@H](N)C(=O)O)C(=O)O`
ZINC40472549	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(=O)O)[C@@H](C)…`
ZINC40490721	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](NC(=O)[C@@H](N)[C@H](C)CC)C(=O…`
ZINC5909388	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@H](C)CC)C(=O)O`
ZINC1532219	0.571	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O`
ZINC1532220	0.571	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)O`
ZINC1532221	0.571	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)O`
ZINC1532222	0.571	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)O`
ZINC4899467	0.567	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC5662848	0.567	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC5662849	0.567	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC5662850	0.567	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC1605717	0.552	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC1605718	0.552	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC1605719	0.552	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@@H](C(=O)O)C(C)C`
ZINC1605720	0.552	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@@H](C(=O)O)C(C)C`
ZINC2560984	0.548	246.3 Da LogP -0.60 TPSA 129.7	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O`
ZINC2575119	0.548	218.3 Da LogP -1.08 TPSA 112.7	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)O`
ZINC104393063	0.545	297.5 Da LogP 4.91 TPSA 60.2	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCCCCC(N)=O`
ZINC13529436	0.533	212.3 Da LogP 1.76 TPSA 46.3	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N1CCCCCC1`
ZINC1541834	0.533	218.3 Da LogP -1.08 TPSA 112.7	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)O`
ZINC19502834	0.533	212.3 Da LogP 1.76 TPSA 46.3	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](N)C(=O)N1CCCCCC1`
ZINC19502836	0.533	212.3 Da LogP 1.76 TPSA 46.3	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](N)C(=O)N1CCCCCC1`
ZINC19502838	0.533	212.3 Da LogP 1.76 TPSA 46.3	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@H](N)C(=O)N1CCCCCC1`
ZINC227596999	0.533	357.5 Da LogP 1.51 TPSA 121.5	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC…`
ZINC227597004	0.533	357.5 Da LogP 1.51 TPSA 121.5	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C…`
ZINC2556618	0.533	246.3 Da LogP -0.60 TPSA 129.7	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O`
ZINC2561063	0.533	218.3 Da LogP -1.08 TPSA 112.7	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@H](CO)C(=O)O`
ZINC4556665	0.533	357.5 Da LogP 1.51 TPSA 121.5	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](…`
ZINC4556667	0.533	357.5 Da LogP 1.51 TPSA 121.5	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C…`
ZINC4556684	0.533	218.3 Da LogP -1.08 TPSA 112.7	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@@H](CO)C(=O)O`
ZINC4556685	0.533	218.3 Da LogP -1.08 TPSA 112.7	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@H](CO)C(=O)O`
ZINC13508097	0.531	234.3 Da LogP -0.14 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)O`
ZINC116475206	0.529	284.4 Da LogP 3.42 TPSA 86.2	✓ Ro5	✓ Clean	`NC(=O)CCCCCCCCCCCCCCC(N)=O`
ZINC1587906	0.529	200.3 Da LogP 1.08 TPSA 86.2	✓ Ro5	✓ Clean	`NC(=O)CCCCCCCCC(N)=O`
ZINC71771467	0.529	256.4 Da LogP 2.64 TPSA 86.2	✓ Ro5	✓ Clean	`NC(=O)CCCCCCCCCCCCC(N)=O`
ZINC2560328	0.520	239.1 Da LogP 1.53 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@@H](CC(C(F)(F)F)C(F)(F)F)C(=O)O`
ZINC4348166	0.520	239.1 Da LogP 1.53 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@H](CC(C(F)(F)F)C(F)(F)F)C(=O)O`
ZINC1579628	0.517	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)NCCC(=O)O`
ZINC2390984	0.517	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)NCCC(=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.