Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA1423
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: bdlA PA1423
Status: annotated
Amino acids: 417
Structure source: AlphaFold

GO

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0008276 Catalysis of the transfer of a methyl group (CH3-) to a protein. GO:0004888 Combining with an extracellular or intracellular signal and transmitting the signal from one side of the membrane to the other to initiate a change in cell activity or state as part of signal transduction. GO:0006935 The directed movement of a motile cell or organism, or the directed growth of a cell guided by a specific chemical concentration gradient. Movement may be towards a higher concentration (positive chemotaxis) or towards a lower concentration (negative chemotaxis). GO:0007165 The cellular process in which a signal is conveyed to trigger a change in the activity or state of a cell. Signal transduction begins with reception of a signal (e.g. a ligand binding to a receptor or receptor activation by a stimulus such as light), or for signal transduction in the absence of ligand, signal-withdrawal or the activity of a constitutively active receptor. Signal transduction ends with regulation of a downstream cellular process, e.g. regulation of transcription or regulation of a metabolic process. Signal transduction covers signaling from receptors located on the surface of the cell and signaling via molecules located within the cell. For signaling between cells, signal transduction is restricted to events at and within the receiving cell. GO:0005515 Binding to a protein.

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 0.566

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

6

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0008276 Catalysis of the transfer of a methyl group (CH3-) to a protein.
GO:0004888 Combining with an extracellular or intracellular signal and transmitting the signal from one side of the membrane to the other to initiate a change in cell activity or state as part of signal transduction.
GO:0006935 The directed movement of a motile cell or organism, or the directed growth of a cell guided by a specific chemical concentration gradient. Movement may be towards a higher concentration (positive chemotaxis) or towards a lower concentration (negative chemotaxis).
GO:0007165 The cellular process in which a signal is conveyed to trigger a change in the activity or state of a cell. Signal transduction begins with reception of a signal (e.g. a ligand binding to a receptor or receptor activation by a stimulus such as light), or for signal transduction in the absence of ligand, signal-withdrawal or the activity of a constitutively active receptor. Signal transduction ends with regulation of a downstream cellular process, e.g. regulation of transcription or regulation of a metabolic process. Signal transduction covers signaling from receptors located on the surface of the cell and signaling via molecules located within the cell. For signaling between cells, signal transduction is restricted to events at and within the receiving cell.
GO:0005515 Binding to a protein.

Sequence Features

Domain/signature hits from InterPro and related databases.

47 records

Show feature table

Start	End	DB	Term	Name
70	112	SMART	SM00086	pac_2
70	112	InterPro	IPR001610	PAC motif
192	234	SMART	SM00086	pac_2
192	234	InterPro	IPR001610	PAC motif
1	111	FunFam	G3DSA:3.30.450.20:FF:000103	Methyl-accepting chemotaxis protein
227	415	Gene3D	G3DSA:1.10.287.950	-
142	227	Pfam	PF08447	PAS fold
142	227	InterPro	IPR013655	PAS fold-3
3	408	PANTHER	PTHR24422	CHEMOTAXIS PROTEIN METHYLTRANSFERASE
223	417	SMART	SM00283	MA_2
223	417	InterPro	IPR004089	Methyl-accepting chemotaxis protein (MCP) signalling domain
242	414	CDD	cd11386	MCP_signal
67	121	ProSiteProfiles	PS50113	PAC domain profile.
67	121	InterPro	IPR000700	PAS-associated, C-terminal
129	231	SUPERFAMILY	SSF55785	PYP-like sensor domain (PAS domain)
129	231	InterPro	IPR035965	PAS domain superfamily
117	186	SMART	SM00091	pas_2
117	186	InterPro	IPR000014	PAS domain
3	65	SMART	SM00091	pas_2
3	65	InterPro	IPR000014	PAS domain
105	226	Gene3D	G3DSA:3.30.450.20	PAS domain
1	104	Gene3D	G3DSA:3.30.450.20	PAS domain
14	40	ProSiteProfiles	PS50112	PAS repeat profile.
14	40	InterPro	IPR000014	PAS domain
303	330	PRINTS	PR00260	Bacterial chemotaxis sensory transducer signature
303	330	InterPro	IPR004090	Chemotaxis methyl-accepting receptor
332	361	PRINTS	PR00260	Bacterial chemotaxis sensory transducer signature
332	361	InterPro	IPR004090	Chemotaxis methyl-accepting receptor
14	109	Pfam	PF13426	PAS domain
14	109	InterPro	IPR000014	PAS domain
225	412	SUPERFAMILY	SSF58104	Methyl-accepting chemotaxis protein (MCP) signaling domain
129	237	NCBIfam	TIGR00229	PAS domain S-box protein
129	237	InterPro	IPR000014	PAS domain
8	118	NCBIfam	TIGR00229	PAS domain S-box protein
8	118	InterPro	IPR000014	PAS domain
191	243	ProSiteProfiles	PS50113	PAC domain profile.
191	243	InterPro	IPR000700	PAS-associated, C-terminal
119	233	FunFam	G3DSA:3.30.450.20:FF:000103	Methyl-accepting chemotaxis protein
129	231	CDD	cd00130	PAS
129	231	InterPro	IPR000014	PAS domain
7	109	SUPERFAMILY	SSF55785	PYP-like sensor domain (PAS domain)
7	109	InterPro	IPR035965	PAS domain superfamily
14	109	CDD	cd00130	PAS
242	417	ProSiteProfiles	PS50111	Bacterial chemotaxis sensory transducers domain profile.
242	417	InterPro	IPR004089	Methyl-accepting chemotaxis protein (MCP) signalling domain
252	413	Pfam	PF00015	Methyl-accepting chemotaxis protein (MCP) signalling domain
252	413	InterPro	IPR004089	Methyl-accepting chemotaxis protein (MCP) signalling domain

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 PA1423	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
1				0.566

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.

10 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
LUM	6GPV	P93025	242.2 Da LogP 0.78 TPSA 91.5	✓ Ro5	✓ Clean	`Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3`
OXY	1S66	P76129	32.0 Da LogP 0.07 TPSA 34.1	✓ Ro5	✓ Clean	`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
ZINC12446789	1.000	242.2 Da LogP 0.78 TPSA 91.5	✓ Ro5	✓ Clean	`Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C`
ZINC113969374	0.714	228.2 Da LogP 0.47 TPSA 91.5	✓ Ro5	✓ Clean	`Cc1ccc2nc3c(=O)[nH]c(=O)[nH]c3nc2c1`
ZINC206732123	0.667	242.2 Da LogP 0.78 TPSA 91.5	✓ Ro5	✓ Clean	`Cc1cc(C)c2nc3c(=O)[nH]c(=O)[nH]c3nc2c1`
ZINC1593201	0.657	426.4 Da LogP 0.30 TPSA 183.0	✓ Ro5	✓ Clean	`O=c1[nH]c(=O)c2nc3cc(-c4ccc5nc6[nH]c(=O)[nH]c(=…`
ZINC166368714	0.622	242.2 Da LogP 0.78 TPSA 91.5	✓ Ro5	✓ Clean	`Cc1ccc2nc3[nH]c(=O)[nH]c(=O)c3nc2c1C`
ZINC137705942	0.618	242.2 Da LogP 0.78 TPSA 91.5	✓ Ro5	✓ Clean	`Cc1ccc(C)c2nc3c(=O)[nH]c(=O)[nH]c3nc12`
ZINC1512902	0.513	256.3 Da LogP 0.79 TPSA 80.6	✓ Ro5	✓ Clean	`Cc1cc2nc3c(=O)[nH]c(=O)n(C)c3nc2cc1C`
ZINC4882741	0.500	325.2 Da LogP 0.66 TPSA 120.6	✓ Ro5	✓ Clean	`O=C(Nc1ccc2nc3c(=O)[nH]c(=O)[nH]c3nc2c1)C(F)(F)F`

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.

PA1423