Protein profile

PA0122

hypothetical protein

Genome: NC_002516.2

Gene: PA0122 Structure source: Experimental + AlphaFold UniProt Q9I710

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Amino acids 136

Annotations 2

Features 5

PDB binders 2

Druggability 0.577

Overview

Basic information about this protein and its source genome.

Accession: PA0122
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA0122
Status: annotated
Amino acids: 136
Structure source: Experimental + AlphaFold

GO:0051861 Binding to a glycolipid, any compound containing one or more monosaccharide residues bound by a glycosidic linkage to a hydrophobic group such as an acylglycerol, a sphingoid, a ceramide (N-acylsphingoid) or a prenyl phosphate. GO:0019836 The cytolytic destruction of red blood cells, with the release of intracellular hemoglobin, in the host organism by a symbiont. The host is defined as the larger of the organisms involved in a symbiotic interaction.

Target profile

Computed evidence for target prioritization.

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

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 0.577

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

GO:0051861 Binding to a glycolipid, any compound containing one or more monosaccharide residues bound by a glycosidic linkage to a hydrophobic group such as an acylglycerol, a sphingoid, a ceramide (N-acylsphingoid) or a prenyl phosphate.
GO:0019836 The cytolytic destruction of red blood cells, with the release of intracellular hemoglobin, in the host organism by a symbiont. The host is defined as the larger of the organisms involved in a symbiotic interaction.

Sequence Features

Domain/signature hits from InterPro and related databases.

5 records

Show feature table

Start	End	DB	Term	Name
1	135	Gene3D	G3DSA:2.60.270.50	-
1	136	PIRSF	PIRSF007951	Hemolysin_aeg
1	136	InterPro	IPR009413	Hemolysin, aegerolysin type
4	134	Pfam	PF06355	Aegerolysin
4	134	InterPro	IPR009413	Hemolysin, aegerolysin type

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

2 + 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 6ZC2	X-ray	1.13 Å	A	100.0% 1-136	PDBe RCSB PDBj File	Viewing
PDB 6ZC1	X-ray	1.27 Å	A	100.0% 1-136	PDBe RCSB PDBj File	Loaded
AlphaFold PA0122	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
2				0.577
1				0.345

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				1.15	0.009

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				0.708
3				0.238
2				0.203

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.

41 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
BTB	6MYK	P83467	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`C(CO)N(CCO)C(CO)(CO)CO`
K6V	6MYJ	P83467	145.2 Da LogP 0.28 TPSA 49.3	✓ Ro5	✓ Clean	`CCCC(=O)N[C@@H](C)CO`

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
ZINC1615342	1.000	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`OCCN(CCO)C(CO)(CO)CO`
ZINC59258172	0.714	313.5 Da LogP 4.96 TPSA 49.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCC(=O)N[C@H](C)CO`
ZINC82006829	0.714	313.5 Da LogP 4.96 TPSA 49.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCC(=O)N[C@@H](C)CO`
ZINC2086643	0.643	214.3 Da LogP 1.21 TPSA 58.2	✓ Ro5	✓ Clean	`CCCC(=O)NC[C@@H](C)NC(=O)CCC`
ZINC2086644	0.643	214.3 Da LogP 1.21 TPSA 58.2	✓ Ro5	✓ Clean	`CCCC(=O)NC[C@H](C)NC(=O)CCC`
ZINC408514533	0.640	228.3 Da LogP 1.60 TPSA 58.2	✓ Ro5	✓ Clean	`CCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)CCC`
ZINC408514535	0.640	228.3 Da LogP 1.60 TPSA 58.2	✓ Ro5	✓ Clean	`CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)CCC`
ZINC408514536	0.640	228.3 Da LogP 1.60 TPSA 58.2	✓ Ro5	✓ Clean	`CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)CCC`
ZINC16971102	0.577	228.3 Da LogP 1.60 TPSA 58.2	✓ Ro5	✓ Clean	`CC[C@H](C)NC(=O)CCC(=O)N[C@H](C)CC`
ZINC6116063	0.577	228.3 Da LogP 1.60 TPSA 58.2	✓ Ro5	✓ Clean	`CC[C@@H](C)NC(=O)CCC(=O)N[C@H](C)CC`
ZINC6120854	0.577	228.3 Da LogP 1.60 TPSA 58.2	✓ Ro5	✓ Clean	`CC[C@H](C)NC(=O)CCC(=O)N[C@@H](C)CC`
ZINC408517397	0.563	256.4 Da LogP 2.38 TPSA 58.2	✓ Ro5	✓ Clean	`CCCC(=O)NCCCC[C@@H](C)NC(=O)CCC`
ZINC408517398	0.563	256.4 Da LogP 2.38 TPSA 58.2	✓ Ro5	✓ Clean	`CCCC(=O)NCCCC[C@H](C)NC(=O)CCC`
ZINC14360284	0.560	204.2 Da LogP -2.02 TPSA 98.7	✓ Ro5	✓ Clean	`C[C@@H](CO)NC(=O)C(=O)N[C@H](C)CO`
ZINC2643590	0.560	204.2 Da LogP -2.02 TPSA 98.7	✓ Ro5	✓ Clean	`C[C@@H](CO)NC(=O)C(=O)N[C@@H](C)CO`
ZINC2643593	0.560	204.2 Da LogP -2.02 TPSA 98.7	✓ Ro5	✓ Clean	`C[C@H](CO)NC(=O)C(=O)N[C@H](C)CO`
ZINC17032562	0.552	312.5 Da LogP 3.94 TPSA 58.2	✓ Ro5	✓ Clean	`CCCCC[C@H](C)NC(=O)CCC(=O)N[C@H](C)CCCCC`
ZINC5951413	0.552	312.5 Da LogP 3.94 TPSA 58.2	✓ Ro5	✓ Clean	`CCCCC[C@@H](C)NC(=O)CCC(=O)N[C@H](C)CCCCC`
ZINC5951421	0.552	312.5 Da LogP 3.94 TPSA 58.2	✓ Ro5	✓ Clean	`CCCCC[C@H](C)NC(=O)CCC(=O)N[C@@H](C)CCCCC`
ZINC35204429	0.545	213.3 Da LogP 1.84 TPSA 49.3	✓ Ro5	✓ Clean	`C[C@@H](CO)NC(=O)CCC1CCCCC1`
ZINC35204430	0.545	213.3 Da LogP 1.84 TPSA 49.3	✓ Ro5	✓ Clean	`C[C@H](CO)NC(=O)CCC1CCCCC1`
ZINC2334905	0.522	261.4 Da LogP 1.10 TPSA 63.9	✓ Ro5	✓ Clean	`CC(C)CCN(CCC(C)C)C(CO)(CO)CO`
ZINC3159953	0.522	261.4 Da LogP 1.38 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCN(CCCCC)C(CO)(CO)CO`
ZINC585089468	0.517	284.4 Da LogP 1.95 TPSA 75.3	✓ Ro5	✓ Clean	`CC[C@H](C)NC(=O)CCC(=O)CCC(=O)N[C@@H](C)CC`
ZINC585089469	0.517	284.4 Da LogP 1.95 TPSA 75.3	✓ Ro5	✓ Clean	`CC[C@H](C)NC(=O)CCC(=O)CCC(=O)N[C@H](C)CC`
ZINC585089470	0.517	284.4 Da LogP 1.95 TPSA 75.3	✓ Ro5	✓ Clean	`CC[C@@H](C)NC(=O)CCC(=O)CCC(=O)N[C@H](C)CC`
ZINC95978294	0.514	210.3 Da LogP 0.77 TPSA 54.3	✓ Ro5	✓ Clean	`C[C@@H](CO)NC(=O)CCCn1cccc1`
ZINC95978295	0.514	210.3 Da LogP 0.77 TPSA 54.3	✓ Ro5	✓ Clean	`C[C@H](CO)NC(=O)CCCn1cccc1`
ZINC11890097	0.500	201.3 Da LogP 1.40 TPSA 66.4	✓ Ro5	✓ Clean	`CCCC(=O)N[C@@H](CC(C)C)C(=O)O`
ZINC13153673	0.500	288.5 Da LogP 2.33 TPSA 58.2	✓ Ro5	✓ Clean	`CC[C@H](C)NC(=O)CCSCCC(=O)N[C@H](C)CC`
ZINC2772531	0.500	288.5 Da LogP 2.33 TPSA 58.2	✓ Ro5	✓ Clean	`CC[C@H](C)NC(=O)CCSCCC(=O)N[C@@H](C)CC`
ZINC2772532	0.500	288.5 Da LogP 2.33 TPSA 58.2	✓ Ro5	✓ Clean	`CC[C@@H](C)NC(=O)CCSCCC(=O)N[C@H](C)CC`
ZINC5297554	0.500	289.5 Da LogP 2.16 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCN(CCCCCC)C(CO)(CO)CO`
ZINC79094626	0.500	235.3 Da LogP 1.12 TPSA 63.2	✓ Ro5	✓ Clean	`CCCCC(=O)N[C@@H](C)CS(=O)(=O)CC`
ZINC79094631	0.500	235.3 Da LogP 1.12 TPSA 63.2	✓ Ro5	✓ Clean	`CCCCC(=O)N[C@H](C)CS(=O)(=O)CC`
ZINC96475438	0.500	220.3 Da LogP 2.40 TPSA 41.1	✓ Ro5	✓ Clean	`CCCC(=O)N[C@@H](C)CNc1ccccc1`
ZINC96475439	0.500	220.3 Da LogP 2.40 TPSA 41.1	✓ Ro5	✓ Clean	`CCCC(=O)N[C@H](C)CNc1ccccc1`
ZINC97941822	0.500	317.5 Da LogP 2.94 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCCN(CCCCCCC)C(CO)(CO)CO`
ZINC97942927	0.500	373.6 Da LogP 4.51 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCCCCN(CCCCCCCCC)C(CO)(CO)CO`

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.