Protein profile

PA1453

flagellar biosynthesis regulator FlhF

Genome: NC_002516.2

Gene: flhF PA1453 Structure source: AlphaFold UniProt Q9I3P8

Export view

Amino acids 429

Annotations 9

Features 18

PDB binders 10

Druggability 0.803

Overview

Basic information about this protein and its source genome.

Accession: PA1453
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: flhF PA1453
Status: annotated
Amino acids: 429
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:0005525 Binding to GTP, guanosine triphosphate. GO:0003924 Catalysis of the reaction: GTP + H2O = GDP + H+ + phosphate. GO:0005047 Binding to a signal recognition particle. GO:0044781 A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of a bacterial-type flagellum, a motor complex composed of an extracellular helical protein filament coupled to a rotary motor embedded in the cell envelope which functions in cell motility. GO:0006605 The process of targeting specific proteins to particular regions of the cell, typically membrane-bounded subcellular organelles. Usually requires an organelle specific protein sequence motif.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 23.116
Human E-value: 7.31e-09
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Cytoplasmic

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 0.803

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

9 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:0005525 Binding to GTP, guanosine triphosphate.
GO:0003924 Catalysis of the reaction: GTP + H2O = GDP + H+ + phosphate.
GO:0005047 Binding to a signal recognition particle.
GO:0044781 A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of a bacterial-type flagellum, a motor complex composed of an extracellular helical protein filament coupled to a rotary motor embedded in the cell envelope which functions in cell motility.
GO:0006605 The process of targeting specific proteins to particular regions of the cell, typically membrane-bounded subcellular organelles. Usually requires an organelle specific protein sequence motif.
GO:0015031 The directed movement of proteins into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
GO:0006614 The targeting of proteins to a membrane that occurs during translation and is dependent upon two key components, the signal-recognition particle (SRP) and the SRP receptor. SRP is a cytosolic particle that transiently binds to the endoplasmic reticulum (ER) signal sequence in a nascent protein, to the large ribosomal unit, and to the SRP receptor in the ER membrane.
GO:0016887 Catalysis of the reaction: ATP + H2O = ADP + H+ phosphate. ATP hydrolysis is used in some reactions as an energy source, for example to catalyze a reaction or drive transport against a concentration gradient.

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records

Show feature table

Start	End	DB	Term	Name
56	76	Coils	Coil	Coil
208	379	SMART	SM00382	AAA_5
208	379	InterPro	IPR003593	AAA+ ATPase domain
209	401	SMART	SM00962	SRP54_3
209	401	InterPro	IPR000897	Signal recognition particle, SRP54 subunit, GTPase domain
210	399	CDD	cd17873	FlhF
210	399	InterPro	IPR047040	Flagellar biosynthesis protein FlhF, GTPase domain
188	398	PANTHER	PTHR43134	SIGNAL RECOGNITION PARTICLE RECEPTOR SUBUNIT ALPHA
186	391	Gene3D	G3DSA:1.20.120.1380	Flagellar FlhF biosynthesis protein, N domain
1	297	NCBIfam	TIGR03499	flagellar biosynthesis protein FlhF
1	297	InterPro	IPR020006	Flagellar biosynthesis protein FlhF
205	389	Gene3D	G3DSA:3.40.50.300	-
205	389	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
211	399	Pfam	PF00448	SRP54-type protein, GTPase domain
211	399	InterPro	IPR000897	Signal recognition particle, SRP54 subunit, GTPase domain
207	398	SUPERFAMILY	SSF52540	P-loop containing nucleoside triphosphate hydrolases
207	398	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
204	389	FunFam	G3DSA:3.40.50.300:FF:000695	Flagellar biosynthesis regulator FlhF

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...

Legend High Medium Low

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 PA1453	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				0.803
4				0.531
6				0.256

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.

60 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
0O2	7O9H	P10121	683.1 Da LogP -2.10 TPSA 392.2	3 viol.	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O…`
4ME	6CVD	P10121	175.2 Da LogP 1.95 TPSA 42.1	✓ Ro5	✓ Clean	`COC(=O)c1cccc2c1cc[nH]2`
AF3	3SYN	Q01960	84.0 Da LogP 0.88 TPSA 0.0	✓ Ro5	✓ Clean	`F[Al](F)F`
ALF	4C7O	P10121	103.0 Da LogP 1.30 TPSA 0.0	✓ Ro5	✓ Clean	`F[Al-](F)(F)F`
F9Y	6CS8	P10121	142.2 Da LogP 2.04 TPSA 39.6	✓ Ro5	✓ Clean	`c1cc(cc2c1cc[nH]2)C#N`
GCP	1RJ9	O07347	521.2 Da LogP -2.22 TPSA 289.9	3 viol.	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O…`
GNP	1JPJ	O07347	522.2 Da LogP -2.76 TPSA 301.9	3 viol.	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O…`
GXY	6DLX	P10121	232.1 Da LogP 2.05 TPSA 44.5	✓ Ro5	✓ Clean	`COc1cc(c(cc1Br)OC)N`
NH4	6CVD	P10121	18.0 Da LogP 0.38 TPSA 36.5	✓ Ro5	✓ Clean	`[NH4+]`
OXY	1LS1	O07347	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
ZINC9372393	1.000	232.1 Da LogP 2.05 TPSA 44.5	✓ Ro5	✓ Clean	`COc1cc(Br)c(OC)cc1N`
ZINC104869865	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O…`
ZINC12504289	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…`
ZINC34541308	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…`
ZINC35000839	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(…`
ZINC45284491	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(…`
ZINC80639694	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…`
ZINC8215481	0.850	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…`
ZINC36181635	0.826	232.1 Da LogP 2.05 TPSA 44.5	✓ Ro5	✓ Clean	`COc1cc(OC)c(Br)cc1N`
ZINC12501413	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…`
ZINC12958448	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…`
ZINC1532555	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…`
ZINC16546189	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…`
ZINC2159505	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…`
ZINC3073318	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…`
ZINC3869963	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…`
ZINC3869965	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O…`
ZINC9334496	0.783	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…`
ZINC39590917	0.783	217.1 Da LogP 1.62 TPSA 61.3	✓ Ro5	✓ Clean	`COc1cc(N)c(N)cc1Br`
ZINC494861	0.783	280.9 Da LogP 2.80 TPSA 35.2	✓ Ro5	✓ Clean	`COc1cc(Br)c(Br)cc1N`
ZINC72204055	0.750	280.9 Da LogP 2.80 TPSA 35.2	✓ Ro5	✓ Clean	`COc1cc(Br)c(N)cc1Br`
ZINC8737772	0.750	280.9 Da LogP 2.80 TPSA 35.2	✓ Ro5	✓ Clean	`COc1cc(N)c(Br)cc1Br`
ZINC16678131	0.720	216.1 Da LogP 2.35 TPSA 35.2	✓ Ro5	✓ Clean	`COc1cc(N)c(C)cc1Br`
ZINC4707252	0.720	402.1 Da LogP 4.06 TPSA 70.5	✓ Ro5	✓ Clean	`COc1cc(-c2cc(OC)c(N)cc2Br)c(Br)cc1N`
ZINC57059	0.714	296.0 Da LogP 3.23 TPSA 18.5	✓ Ro5	✓ Clean	`COc1cc(Br)c(OC)cc1Br`
ZINC1685331	0.708	232.1 Da LogP 2.05 TPSA 44.5	✓ Ro5	✓ Clean	`COc1cc(N)c(Br)cc1OC`
ZINC40571453	0.692	216.1 Da LogP 2.35 TPSA 35.2	✓ Ro5	✓ Clean	`COc1cc(Br)c(C)cc1N`
ZINC33358958	0.686	203.2 Da LogP 1.31 TPSA 59.2	✓ Ro5	✓ Clean	`COC(=O)c1cccc2c(=O)[nH]ccc12`
ZINC71774763	0.681	432.3 Da LogP -2.23 TPSA 198.3	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)(O)N3CCOCC3…`
ZINC14982814	0.667	233.2 Da LogP 1.74 TPSA 68.4	✓ Ro5	✓ Clean	`COC(=O)c1cc(C(=O)OC)c2cc[nH]c2c1`
ZINC149859436	0.667	327.9 Da LogP 2.64 TPSA 35.2	✓ Ro5	✓ Clean	`COc1cc(N)c(I)cc1Br`
ZINC15444513	0.667	236.5 Da LogP 2.69 TPSA 35.2	✓ Ro5	✓ Clean	`COc1cc(Br)c(Cl)cc1N`
ZINC20283497	0.667	304.3 Da LogP 2.55 TPSA 89.0	✓ Ro5	✓ Clean	`COc1cc(-c2cc(OC)c(N)cc2OC)c(OC)cc1N`
ZINC34363585	0.667	236.5 Da LogP 2.69 TPSA 35.2	✓ Ro5	✓ Clean	`COc1cc(N)c(Cl)cc1Br`
ZINC39619094	0.667	220.0 Da LogP 2.18 TPSA 35.2	✓ Ro5	✓ Clean	`COc1cc(N)c(F)cc1Br`
ZINC77032296	0.667	220.0 Da LogP 2.18 TPSA 35.2	✓ Ro5	✓ Clean	`COc1cc(Br)c(F)cc1N`
ZINC97447173	0.667	218.0 Da LogP 1.75 TPSA 55.5	✓ Ro5	✓ Clean	`COc1cc(N)c(O)cc1Br`
ZINC97447174	0.667	218.0 Da LogP 1.75 TPSA 55.5	✓ Ro5	✓ Clean	`COc1cc(Br)c(O)cc1N`
ZINC4743771	0.662	361.3 Da LogP -2.70 TPSA 182.6	1 viol.	✓ Clean	`CS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc…`
ZINC4743772	0.662	361.3 Da LogP -2.70 TPSA 182.6	1 viol.	✓ Clean	`CS(=O)(=O)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)n…`
ZINC4743774	0.662	361.3 Da LogP -2.70 TPSA 182.6	1 viol.	✓ Clean	`CS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc…`
ZINC4743775	0.662	361.3 Da LogP -2.70 TPSA 182.6	1 viol.	✓ Clean	`CS(=O)(=O)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)n…`
ZINC83428754	0.654	216.1 Da LogP 2.35 TPSA 35.2	✓ Ro5	✓ Clean	`COc1cc(C)c(N)cc1Br`
ZINC163122	0.652	247.1 Da LogP 2.47 TPSA 27.7	✓ Ro5	✓ Clean	`COc1cc(OC)c(OC)cc1Br`
ZINC1721293	0.652	344.8 Da LogP 3.98 TPSA 9.2	✓ Ro5	✓ Clean	`COc1cc(Br)c(Br)cc1Br`
ZINC238405705	0.649	203.2 Da LogP 1.31 TPSA 59.2	✓ Ro5	✓ Clean	`COC(=O)c1cccc2[nH]ccc(=O)c12`
ZINC747350750	0.649	237.3 Da LogP 3.39 TPSA 42.1	✓ Ro5	✓ Clean	`O=C(Oc1ccccc1)c1cccc2[nH]ccc12`
ZINC12503703	0.647	427.2 Da LogP -1.42 TPSA 232.3	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)(…`
ZINC8215878	0.647	427.2 Da LogP -1.42 TPSA 232.3	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O…`
ZINC12504287	0.642	443.2 Da LogP -2.45 TPSA 252.6	2 viol.	✓ Clean	`Nc1nc(=O)c2ncn([C@@H]3O[C@@H](CO[P@@](=O)(O)OP(…`

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.