Protein profile

PA4818

hypothetical protein

Genome: NC_002516.2

Gene: PA4818 Structure source: AlphaFold UniProt Q9HUZ2

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Amino acids 478

Annotations 7

Features 31

PDB binders 4

Druggability 0.898

Overview

Basic information about this protein and its source genome.

Accession: PA4818
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA4818
Status: annotated
Amino acids: 478
Structure source: AlphaFold

GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. GO:0000030 Catalysis of the transfer of a mannosyl group to an acceptor molecule, typically another carbohydrate or a lipid. GO:0016763 Catalysis of the transfer of a pentosyl group from one compound (donor) to another (acceptor). GO:0009103 The chemical reactions and pathways resulting in the formation of lipopolysaccharides, any of a group of related, structurally complex components of the outer membrane of Gram-negative bacteria. GO:0006493 A glycoprotein biosynthetic process starting with the covalent linkage of carbohydrate or carbohydrate derivative unit via a glycosidic bond to the oxygen atom of a serine, threonine, hydroxylysine, hydroxyproline or tyrosine side chain in a protein, which can be further elongated with the sequential addition of sugar units resulting in the formation of a protein O-linked glycan. GO:0010041 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of an iron(III) ion stimulus.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): N
Localization: CytoplasmicMembrane

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 0.898

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Gene Ontology (GO)

GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
GO:0000030 Catalysis of the transfer of a mannosyl group to an acceptor molecule, typically another carbohydrate or a lipid.
GO:0016763 Catalysis of the transfer of a pentosyl group from one compound (donor) to another (acceptor).
GO:0009103 The chemical reactions and pathways resulting in the formation of lipopolysaccharides, any of a group of related, structurally complex components of the outer membrane of Gram-negative bacteria.
GO:0006493 A glycoprotein biosynthetic process starting with the covalent linkage of carbohydrate or carbohydrate derivative unit via a glycosidic bond to the oxygen atom of a serine, threonine, hydroxylysine, hydroxyproline or tyrosine side chain in a protein, which can be further elongated with the sequential addition of sugar units resulting in the formation of a protein O-linked glycan.
GO:0010041 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of an iron(III) ion stimulus.
GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.

Sequence Features

Domain/signature hits from InterPro and related databases.

31 records

Show feature table

Start	End	DB	Term	Name
270	290	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
360	381	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
124	146	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
7	29	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
291	309	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
199	209	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
211	229	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
382	478	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
1	8	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
21	25	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
89	105	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
6	431	PANTHER	PTHR33908	MANNOSYLTRANSFERASE YKCB-RELATED
311	333	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
210	228	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
106	116	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
1	25	Phobius	SIGNAL_PEPTIDE	Signal peptide region
26	88	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
269	291	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
310	332	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
9	20	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
176	198	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	19	SignalP_EUK	SignalP-noTM	SignalP-noTM
148	166	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
360	382	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
229	269	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
117	147	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
167	198	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
85	103	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
13	240	Pfam	PF02366	Dolichyl-phosphate-mannose-protein mannosyltransferase
13	240	InterPro	IPR003342	Glycosyl transferase family 39/83
333	359	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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Structural evidence

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold PA4818	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
2				0.898
17				0.646
6				0.623
8				0.263

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.

55 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
5TR	5F15	Q1LDT6	847.3 Da LogP 18.33 TPSA 66.8	2 viol.	✓ Clean	`CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC…`
DSL	5EZM	Q1LDT6	779.2 Da LogP 16.60 TPSA 66.8	2 viol.	✓ Clean	`CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC…`
MPG	5EZM	Q1LDT6	356.5 Da LogP 4.92 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O`
PC	5EZM	Q1LDT6	184.2 Da LogP -0.20 TPSA 66.8	✓ Ro5	✓ Clean	`C[N+](C)(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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL255766	O52327	—	301.3 Da LogP 0.45 TPSA 136.9	✓ Ro5	Alert	`CC(=O)OC1OC[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H…`

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
ZINC2556391	1.000	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`
ZINC1532829	0.964	234.2 Da LogP 2.79 TPSA 66.8	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/COP(=O)(O)O`
ZINC12494625	0.765	382.3 Da LogP 4.63 TPSA 113.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[P@@](=O)(O)OP(=O)…`
ZINC2356589248	0.765	382.3 Da LogP 4.63 TPSA 113.3	✓ Ro5	✓ Clean	`CC(C)=CCCC(C)=CCCC(C)=CCO[P@](=O)(O)OP(=O)(O)O`
ZINC8215849	0.735	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`
ZINC8218174	0.722	462.3 Da LogP 4.75 TPSA 159.8	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[P@@](=O)(O)O[P@@]…`
ZINC71404870	0.719	230.3 Da LogP 4.23 TPSA 26.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/COP(C)(C)=O`
ZINC34661063	0.694	394.2 Da LogP 3.02 TPSA 159.8	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/CO[P@@](=O)(O)O[P@@](=O)(O)OP(…`
ZINC59725075	0.629	226.4 Da LogP 4.25 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCC/C=C/CCCCOC(C)=O`
ZINC59725096	0.629	226.4 Da LogP 4.25 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCC/C=C\CCCCOC(C)=O`
ZINC103619636	0.611	340.3 Da LogP 1.54 TPSA 176.4	✓ Ro5	Alert	`CC(=O)O[C@H]1[C@H](N=[N+]=[N-])C[C@H](N=[N+]=[N…`
ZINC102279436	0.600	358.5 Da LogP 4.54 TPSA 72.8	✓ Ro5	✓ Clean	`CCCCCCCCOC(=O)C[C@H](O)C(=O)OCCCCCCCC`
ZINC102279441	0.600	358.5 Da LogP 4.54 TPSA 72.8	✓ Ro5	✓ Clean	`CCCCCCCCOC(=O)C[C@@H](O)C(=O)OCCCCCCCC`
ZINC1719908	0.588	264.4 Da LogP 4.97 TPSA 26.3	✓ Ro5	✓ Clean	`CC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C`
ZINC1857777740	0.588	264.4 Da LogP 4.97 TPSA 26.3	✓ Ro5	✓ Clean	`CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C`
ZINC4480023	0.588	264.4 Da LogP 4.97 TPSA 26.3	✓ Ro5	✓ Clean	`CC(=O)OC/C=C(/C)CC/C=C(/C)CCC=C(C)C`
ZINC5829138	0.588	264.4 Da LogP 4.97 TPSA 26.3	✓ Ro5	✓ Clean	`CC(=O)OC/C=C(/C)CC/C=C(\C)CCC=C(C)C`
ZINC5829142	0.588	264.4 Da LogP 4.97 TPSA 26.3	✓ Ro5	✓ Clean	`CC(=O)OC/C=C(\C)CC/C=C(/C)CCC=C(C)C`
ZINC1850172	0.583	240.4 Da LogP 4.64 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCC/C=C/CCCOC(C)=O`
ZINC2018958	0.583	226.4 Da LogP 4.25 TPSA 26.3	✓ Ro5	✓ Clean	`CCCC/C=C/CCCCCCOC(C)=O`
ZINC43068418	0.583	240.4 Da LogP 4.64 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCC/C=C\CCCOC(C)=O`
ZINC4543853	0.583	226.4 Da LogP 4.25 TPSA 26.3	✓ Ro5	✓ Clean	`CCCC/C=C\CCCCCCOC(C)=O`
ZINC100503505	0.581	356.5 Da LogP 4.92 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCC/C=C\CCCCCC(=O)OCCC[C@H](O)CO`
ZINC100503506	0.581	356.5 Da LogP 4.92 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCC/C=C\CCCCCC(=O)OCCC[C@@H](O)CO`
ZINC17000749	0.571	265.4 Da LogP 4.50 TPSA 52.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C\CC/C(C)=C\COC(N)=O`
ZINC17000752	0.571	265.4 Da LogP 4.50 TPSA 52.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/CC/C(C)=C\COC(N)=O`
ZINC17000755	0.571	265.4 Da LogP 4.50 TPSA 52.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C\CC/C(C)=C/COC(N)=O`
ZINC17000758	0.571	265.4 Da LogP 4.50 TPSA 52.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(N)=O`
ZINC5291871	0.561	301.3 Da LogP 0.45 TPSA 136.9	✓ Ro5	Alert	`CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](N=[N+]=[N-]…`
ZINC101342141	0.559	374.5 Da LogP 3.52 TPSA 93.1	✓ Ro5	✓ Clean	`CCCCCCCCOC(=O)[C@@H](O)[C@@H](O)C(=O)OCCCCCCCC`
ZINC101342142	0.559	374.5 Da LogP 3.52 TPSA 93.1	✓ Ro5	✓ Clean	`CCCCCCCCOC(=O)[C@@H](O)[C@H](O)C(=O)OCCCCCCCC`
ZINC101342143	0.559	374.5 Da LogP 3.52 TPSA 93.1	✓ Ro5	✓ Clean	`CCCCCCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCCCCCC`
ZINC1319000	0.556	318.3 Da LogP -0.30 TPSA 114.4	✓ Ro5	✓ Clean	`CC(=O)O[C@@H]1OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C…`
ZINC14584247	0.556	318.3 Da LogP -0.30 TPSA 114.4	✓ Ro5	✓ Clean	`CC(=O)O[C@H]1CO[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@…`
ZINC2003180	0.556	318.3 Da LogP -0.30 TPSA 114.4	✓ Ro5	✓ Clean	`CC(=O)O[C@H]1CO[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H…`
ZINC212206827	0.556	273.4 Da LogP 2.77 TPSA 72.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOC(=O)[C@@H](N)CO`
ZINC25628116	0.556	318.3 Da LogP -0.30 TPSA 114.4	✓ Ro5	✓ Clean	`CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](OC(C)=O)[C@@…`
ZINC39336225	0.556	318.3 Da LogP -0.30 TPSA 114.4	✓ Ro5	✓ Clean	`CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)OC[C…`
ZINC4557393	0.556	318.3 Da LogP -0.30 TPSA 114.4	✓ Ro5	✓ Clean	`CC(=O)O[C@@H]1CO[C@H](OC(C)=O)[C@H](OC(C)=O)[C@…`
ZINC4557394	0.556	318.3 Da LogP -0.30 TPSA 114.4	✓ Ro5	✓ Clean	`CC(=O)O[C@H]1CO[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@…`
ZINC4557395	0.556	318.3 Da LogP -0.30 TPSA 114.4	✓ Ro5	✓ Clean	`CC(=O)O[C@@H]1OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[…`
ZINC4557396	0.556	318.3 Da LogP -0.30 TPSA 114.4	✓ Ro5	✓ Clean	`CC(=O)O[C@H]1CO[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@…`
ZINC5438146	0.556	318.3 Da LogP -0.30 TPSA 114.4	✓ Ro5	✓ Clean	`CC(=O)O[C@@H]1OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[…`
ZINC5495606	0.556	318.3 Da LogP -0.30 TPSA 114.4	✓ Ro5	✓ Clean	`CC(=O)O[C@@H]1[C@@H](OC(C)=O)OC[C@@H](OC(C)=O)[…`
ZINC77300481	0.553	260.3 Da LogP 2.12 TPSA 83.8	✓ Ro5	✓ Clean	`CCCCCCCCOC(=O)[C@H](O)CCC(=O)O`
ZINC77300485	0.553	260.3 Da LogP 2.12 TPSA 83.8	✓ Ro5	✓ Clean	`CCCCCCCCOC(=O)[C@@H](O)CCC(=O)O`
ZINC113027531	0.548	310.4 Da LogP 3.58 TPSA 55.8	✓ Ro5	✓ Clean	`CCCCCCCCCO[P@](=O)(O)OCC[N+](C)(C)C`
ZINC1560408744	0.548	257.2 Da LogP -0.28 TPSA 96.2	✓ Ro5	✓ Clean	`C[N+](C)(C)CCO[P@](=O)(O)OC[C](O)CO`
ZINC217410460	0.548	338.4 Da LogP 4.36 TPSA 55.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCO[P@@](=O)(O)OCC[N+](C)(C)C`
ZINC43562168	0.548	352.5 Da LogP 4.75 TPSA 55.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[P@@](=O)(O)OCC[N+](C)(C)C`

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.