Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA1092
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1092 fliC
Status: annotated
Amino acids: 488
Structure source: Experimental + AlphaFold

GO

GO:0009288 A motor complex composed of an extracellular helical protein filament coupled to a rotary motor embedded in the cell envelope. GO:0005576 The space external to the outermost structure of a cell. For cells without external protective or external encapsulating structures this refers to space outside of the plasma membrane. This term covers the host cell environment outside an intracellular parasite. GO:0005198 The action of a molecule that contributes to the structural integrity of a complex. GO:0071973 Cell motility due to the motion of one or more bacterial-type flagella. A bacterial-type flagellum is a motor complex composed of an extracellular helical protein filament coupled to a rotary motor embedded in the cell envelope.

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 0.789

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

4

GO:0009288 A motor complex composed of an extracellular helical protein filament coupled to a rotary motor embedded in the cell envelope.
GO:0005576 The space external to the outermost structure of a cell. For cells without external protective or external encapsulating structures this refers to space outside of the plasma membrane. This term covers the host cell environment outside an intracellular parasite.
GO:0005198 The action of a molecule that contributes to the structural integrity of a complex.
GO:0071973 Cell motility due to the motion of one or more bacterial-type flagella. A bacterial-type flagellum is a motor complex composed of an extracellular helical protein filament coupled to a rotary motor embedded in the cell envelope.

Sequence Features

Domain/signature hits from InterPro and related databases.

22 records

Show feature table

Start	End	DB	Term	Name
61	439	Gene3D	G3DSA:1.20.1330.10	-
403	487	Pfam	PF00700	Bacterial flagellin C-terminal helical region
403	487	InterPro	IPR046358	Flagellin, C-terminal domain
194	286	Gene3D	G3DSA:2.30.220.10	-
4	270	PANTHER	PTHR42792	FLAGELLIN
4	270	InterPro	IPR001492	Flagellin
1	488	SUPERFAMILY	SSF64518	Phase 1 flagellin
178	395	Gene3D	G3DSA:2.170.280.10	f41 fragment of flagellin, middle domain
251	303	Pfam	PF07196	Flagellin hook IN motif
251	303	InterPro	IPR010810	Flagellin hook, IN motif
111	134	PRINTS	PR00207	Flagellin signature
111	134	InterPro	IPR001029	Flagellin, N-terminal domain
37	54	PRINTS	PR00207	Flagellin signature
37	54	InterPro	IPR001029	Flagellin, N-terminal domain
76	95	PRINTS	PR00207	Flagellin signature
76	95	InterPro	IPR001029	Flagellin, N-terminal domain
5	141	Pfam	PF00669	Bacterial flagellin N-terminal helical region
5	141	InterPro	IPR001029	Flagellin, N-terminal domain
440	488	Gene3D	G3DSA:6.10.10.10	-
440	488	InterPro	IPR042187	Flagellin, C-terminal domain, subdomain 2
109	129	Coils	Coil	Coil
2	60	Gene3D	G3DSA:6.10.280.190	-

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

1 + 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 8ERM	X-ray	1.48 Å	A,B	44.7% 178-395	PDBe RCSB PDBj File	Viewing
AlphaFold PA1092	AlphaFold	—	—	full sequence	—	Loaded

Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

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				6.74	0.343
2				1.14	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
2				0.789

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.

7 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
P8E	6X80	P22251	250.3 Da LogP -3.06 TPSA 159.3	1 viol.	✓ Clean	`C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=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
ZINC101190944	0.500	238.2 Da LogP -3.38 TPSA 147.7	1 viol.	✓ Clean	`O=C(O)[C@]1(O)C[C@H](O)[C@H](O)[C@H]([C@@H](O)C…`
ZINC101190950	0.500	238.2 Da LogP -3.38 TPSA 147.7	1 viol.	✓ Clean	`O=C(O)[C@]1(O)C[C@H](O)[C@H](O)[C@@H]([C@@H](O)…`
ZINC2042987	0.500	238.2 Da LogP -3.38 TPSA 147.7	1 viol.	✓ Clean	`O=C(O)[C@]1(O)C[C@H](O)[C@H](O)[C@H]([C@H](O)CO…`
ZINC38590366	0.500	238.2 Da LogP -3.38 TPSA 147.7	1 viol.	✓ Clean	`O=C(O)[C@]1(O)C[C@H](O)[C@H](O)[C@@H]([C@H](O)C…`
ZINC44168213	0.500	238.2 Da LogP -3.38 TPSA 147.7	1 viol.	✓ Clean	`O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O…`
ZINC5851513	0.500	238.2 Da LogP -3.38 TPSA 147.7	1 viol.	✓ Clean	`O=C(O)[C@@]1(O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](…`

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.

PA1092