Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA2804
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2804
Status: annotated
Amino acids: 193
Structure source: AlphaFold

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
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 0.503

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

No GO or EC annotations are currently loaded for this protein.

Sequence Features

Domain/signature hits from InterPro and related databases.

9 records

Show feature table

Start	End	DB	Term	Name
32	91	Pfam	PF01966	HD domain
32	91	InterPro	IPR006674	HD domain
3	192	PANTHER	PTHR40202	-
2	189	Gene3D	G3DSA:1.10.3210.10	Hypothetical protein af1432
29	103	SUPERFAMILY	SSF109604	HD-domain/PDEase-like
31	102	CDD	cd00077	HDc
31	102	InterPro	IPR003607	HD/PDEase domain
7	180	NCBIfam	TIGR03276	phosphonate degradation operons associated HDIG domain protein
7	180	InterPro	IPR017670	Phosphonate degradation operon associated HDIG domain protein

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 PA2804	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				0.503

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.

5 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
FLC	4N6W	D0E8I5	189.1 Da LogP -5.25 TPSA 140.6	✓ Ro5	✓ Clean	`C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O`
KVP	6NPA	A0A4V8H040	184.2 Da LogP -0.81 TPSA 77.8	✓ Ro5	✓ Clean	`C[N+](C)(C)C[C@H](O)P(=O)(O)O`
ODV	4MLN	D0E8I5	141.1 Da LogP -1.56 TPSA 103.8	✓ Ro5	✓ Clean	`C([C@H](O)P(=O)(O)O)N`

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
ZINC20479814	0.550	205.0 Da LogP -1.37 TPSA 141.1	✓ Ro5	✓ Clean	`NCC(P(=O)(O)O)P(=O)(O)O`
ZINC5829758	0.550	206.0 Da LogP -1.34 TPSA 135.3	✓ Ro5	✓ Clean	`O=P(O)(O)C[C@@H](O)P(=O)(O)O`

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.

PA2804