Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA4474
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA4474
Status: annotated
Amino acids: 480
Structure source: AlphaFold

GO

GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0008237 Catalysis of the hydrolysis of peptide bonds by a mechanism in which water acts as a nucleophile, one or two metal ions hold the water molecule in place, and charged amino acid side chains are ligands for the metal ions. GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): Y
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 0.493

Structure –

Pocket –

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:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0008237 Catalysis of the hydrolysis of peptide bonds by a mechanism in which water acts as a nucleophile, one or two metal ions hold the water molecule in place, and charged amino acid side chains are ligands for the metal ions.
GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records

Show feature table

Start	End	DB	Term	Name
16	237	FunFam	G3DSA:3.30.2290.10:FF:000001	Metalloprotease TldD homolog
22	238	Gene3D	G3DSA:3.30.2290.10	PmbA/TldD superfamily
22	238	InterPro	IPR035068	Metalloprotease TldD/PmbA, N-terminal
21	478	PANTHER	PTHR30624	UNCHARACTERIZED PROTEIN TLDD AND PMBA
127	236	Pfam	PF19290	PmbA/TldA metallopeptidase central domain
127	236	InterPro	IPR045570	Metalloprotease TldD/E, central domain
20	479	PIRSF	PIRSF004919	TldD
20	479	InterPro	IPR025502	TldD
244	477	Pfam	PF19289	PmbA/TldA metallopeptidase C-terminal domain
244	477	InterPro	IPR045569	Metalloprotease TldD/E, C-terminal domain
26	478	SUPERFAMILY	SSF111283	Putative modulator of DNA gyrase, PmbA/TldD
26	478	InterPro	IPR036059	Metalloprotease TldD/PmbA superfamily
38	99	Pfam	PF01523	PmbA/TldA metallopeptidase domain 1
38	99	InterPro	IPR002510	Metalloprotease TldD/E, N-terminal domain

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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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 PA4474	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
3				0.493
13				0.484
2				0.459
4				0.357

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.

12 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
BB2	5NJB	P0AGG8	385.5 Da LogP 1.20 TPSA 119.0	✓ Ro5	✓ Clean	`CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1C…`

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
ZINC3871391	1.000	385.5 Da LogP 1.20 TPSA 119.0	✓ Ro5	✓ Clean	`CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@@H…`
ZINC3871392	1.000	385.5 Da LogP 1.20 TPSA 119.0	✓ Ro5	✓ Clean	`CCCCC[C@@H](CC(=O)NO)C(=O)N[C@@H](C(=O)N1CCC[C@…`
ZINC3871393	1.000	385.5 Da LogP 1.20 TPSA 119.0	✓ Ro5	✓ Clean	`CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(=O)N1CCC[C@@…`
ZINC3979014	1.000	385.5 Da LogP 1.20 TPSA 119.0	✓ Ro5	✓ Clean	`CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@H]…`
ZINC7996740	1.000	385.5 Da LogP 1.20 TPSA 119.0	✓ Ro5	✓ Clean	`CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(=O)N1CCC[C@H…`
ZINC22051296	0.586	460.6 Da LogP 4.01 TPSA 95.9	✓ Ro5	✓ Clean	`CCCCC[C@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1…`
ZINC13691916	0.524	394.5 Da LogP 2.94 TPSA 69.6	✓ Ro5	✓ Clean	`CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCC…`
ZINC80351222	0.524	394.5 Da LogP 2.94 TPSA 69.6	✓ Ro5	✓ Clean	`CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCC…`
ZINC80351227	0.524	394.5 Da LogP 2.94 TPSA 69.6	✓ Ro5	✓ Clean	`CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CC…`
ZINC80351230	0.524	394.5 Da LogP 2.94 TPSA 69.6	✓ Ro5	✓ Clean	`CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CC…`
ZINC5138417	0.500	371.4 Da LogP 0.51 TPSA 136.0	✓ Ro5	✓ Clean	`CCC[C@H](CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)N[C@H](C…`

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.

PA4474