Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA0452
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA0452
Status: annotated
Amino acids: 264
Structure source: AlphaFold

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:0098552 A cellular component consisting of one leaflet of a membrane bilayer and any protein embedded or anchored in it or attached to its surface. GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 45.914
Human E-value: 6.31e-67
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Unknown

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3

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:0098552 A cellular component consisting of one leaflet of a membrane bilayer and any protein embedded or anchored in it or attached to its surface.
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.

34 records

Show feature table

Start	End	DB	Term	Name
26	194	Pfam	PF01145	SPFH domain / Band 7 family
26	194	InterPro	IPR001107	Band 7 domain
1	7	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
20	24	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
58	168	Gene3D	G3DSA:3.30.479.30	Band 7 domain
58	168	InterPro	IPR036013	Band 7/SPFH domain superfamily
1	24	Phobius	SIGNAL_PEPTIDE	Signal peptide region
198	221	PRINTS	PR00721	Stomatin signature
198	221	InterPro	IPR001972	Stomatin/HflK family
154	172	PRINTS	PR00721	Stomatin signature
154	172	InterPro	IPR001972	Stomatin/HflK family
28	50	PRINTS	PR00721	Stomatin signature
28	50	InterPro	IPR001972	Stomatin/HflK family
110	127	PRINTS	PR00721	Stomatin signature
110	127	InterPro	IPR001972	Stomatin/HflK family
173	194	PRINTS	PR00721	Stomatin signature
173	194	InterPro	IPR001972	Stomatin/HflK family
75	96	PRINTS	PR00721	Stomatin signature
75	96	InterPro	IPR001972	Stomatin/HflK family
130	153	PRINTS	PR00721	Stomatin signature
130	153	InterPro	IPR001972	Stomatin/HflK family
53	230	CDD	cd08826	SPFH_eoslipins_u1
21	178	SMART	SM00244	PHB_4
21	178	InterPro	IPR001107	Band 7 domain
7	255	PANTHER	PTHR10264	BAND 7 PROTEIN-RELATED
7	255	InterPro	IPR043202	Band-7 stomatin-like
57	170	FunFam	G3DSA:3.30.479.30:FF:000004	Putative membrane protease family, stomatin
52	185	SUPERFAMILY	SSF117892	Band 7/SPFH domain
52	185	InterPro	IPR036013	Band 7/SPFH domain superfamily
169	222	Gene3D	G3DSA:6.10.250.2090	-
127	147	Coils	Coil	Coil
8	19	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
4	26	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
25	264	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.

No pockets are loaded yet for the displayed AlphaFold model PA0452 structure. Run experimental pocket backfill to show FPocket/P2Rank overlays on this structure.

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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 PA0452	AlphaFold	—	—	full sequence	—	Viewing

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.

22 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.

No PDB ligands found through similar proteins.

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
DWT	P27105	7.72	503.5 Da LogP 5.75 TPSA 97.6	2 viol.	✓ Clean	`Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5c…`
DXH	Q9UJZ1	7.70	503.5 Da LogP 5.75 TPSA 97.6	2 viol.	✓ Clean	`Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5c…`
EAM	O75955	6.35	423.9 Da LogP 3.66 TPSA 81.4	✓ Ro5	✓ Clean	`CCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc…`

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
ZINC58655571	1.000	423.9 Da LogP 3.66 TPSA 81.4	✓ Ro5	✓ Clean	`CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n…`
ZINC72190293	1.000	423.9 Da LogP 3.66 TPSA 81.4	✓ Ro5	✓ Clean	`CCNC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2…`
ZINC198754825	0.823	410.9 Da LogP 3.69 TPSA 78.6	✓ Ro5	✓ Clean	`COC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c…`
ZINC96284849	0.823	410.9 Da LogP 3.69 TPSA 78.6	✓ Ro5	✓ Clean	`COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2…`
ZINC144944720	0.806	396.8 Da LogP 3.60 TPSA 89.6	✓ Ro5	✓ Clean	`COc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)O)c1n…`
ZINC96284850	0.806	396.8 Da LogP 3.60 TPSA 89.6	✓ Ro5	✓ Clean	`COc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)O)c1…`
ZINC64859622	0.731	409.9 Da LogP 3.35 TPSA 81.4	✓ Ro5	✓ Clean	`CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n…`
ZINC263620963	0.545	415.5 Da LogP 3.52 TPSA 94.4	✓ Ro5	✓ Clean	`COC(=O)C[C@@H]1N=C(c2cccc3[nH]ccc23)c2cc(OC)ccc…`
ZINC653692055	0.545	415.5 Da LogP 3.52 TPSA 94.4	✓ Ro5	✓ Clean	`COC(=O)C[C@H]1N=C(c2cccc3[nH]ccc23)c2cc(OC)ccc2…`
ZINC220133900	0.538	398.3 Da LogP 3.77 TPSA 85.1	✓ Ro5	✓ Clean	`Cc1nc2nc(-c3cccnc3)nn2cc1C(=O)Nc1cccc(C(F)(F)F)…`
ZINC20148987	0.532	414.4 Da LogP 4.50 TPSA 97.1	✓ Ro5	✓ Clean	`Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)…`
ZINC9306398	0.512	398.3 Da LogP 3.77 TPSA 85.1	✓ Ro5	✓ Clean	`Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2nc(-c3cccnc3)…`
ZINC5049572	0.507	336.3 Da LogP 4.22 TPSA 58.2	✓ Ro5	✓ Clean	`CC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C`
ZINC27727522	0.507	380.8 Da LogP 3.68 TPSA 69.4	✓ Ro5	✓ Clean	`CCOC(=O)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c(C)…`
ZINC27727527	0.507	380.8 Da LogP 3.68 TPSA 69.4	✓ Ro5	✓ Clean	`CCOC(=O)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c(C)n…`
ZINC72174470	0.507	360.4 Da LogP 2.73 TPSA 93.4	✓ Ro5	✓ Clean	`Cn1ncc2c(NCCCNc3cccnc3)nc(-c3cccnc3)nc21`
ZINC1623300333	0.506	438.0 Da LogP 3.94 TPSA 72.2	✓ Ro5	✓ Clean	`C#CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C…`
ZINC2059129846	0.506	438.0 Da LogP 3.94 TPSA 72.2	✓ Ro5	✓ Clean	`C#CCNC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)…`
ZINC72149792	0.506	360.4 Da LogP 2.65 TPSA 93.4	✓ Ro5	✓ Clean	`Cc1cnccc1NCCNc1nc(-c2cccnc2)nc2c1cnn2C`

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.