Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA1677
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1677
Status: annotated
Amino acids: 198
Structure source: AlphaFold

GO

GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.

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 0.692

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MPHPLTLLQISGRGYPPAPLRQSTLLIIDAQEEYRSGALRLPGLDAAAAEIGVLVQAARASGTPIVHVRHLGIQGGLFDPQGPRGQFLPELQPEAGEKVVEKRLPNAFSGTELHDLLQNHGRLDLIVCGFMTHSSVSTTVRAAKDYGYRCTLADSACATRDIPTLNGGVLSAADLQRAEIAALGDNFAAIVAQARELL

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

1

GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.

Sequence Features

Domain/signature hits from InterPro and related databases.

8 records

Show feature table

Start	End	DB	Term	Name
19	194	PANTHER	PTHR43540	PEROXYUREIDOACRYLATE/UREIDOACRYLATE AMIDOHYDROLASE-RELATED
23	193	Pfam	PF00857	Isochorismatase family
23	193	InterPro	IPR000868	Isochorismatase-like
2	191	SUPERFAMILY	SSF52499	Isochorismatase-like hydrolases
2	191	InterPro	IPR036380	Isochorismatase-like superfamily
24	178	CDD	cd01014	nicotinamidase_related
3	195	Gene3D	G3DSA:3.40.50.850	-
3	195	InterPro	IPR036380	Isochorismatase-like superfamily

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 PA1677	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				0.692
2				0.365
3				0.282

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
66Y	5HWG	A0A0K0XHU0	109.1 Da LogP 0.06 TPSA 29.1	✓ Ro5	✓ Clean	`C1[C@@H]2C=C[C@H]1NC2=O`
66Z	5HWH	A0A0K0XHU0	109.1 Da LogP 0.06 TPSA 29.1	✓ Ro5	✓ Clean	`C1[C@H]2C=C[C@@H]1NC2=O`
BTB	5BK6	Q1M7F4	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`C(CO)N(CCO)C(CO)(CO)CO`
C5J	6XJM	H8ZKV9	103.1 Da LogP -1.27 TPSA 98.2	✓ Ro5	✓ Clean	`C(=O)(N)NC(=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
ZINC1615342	1.000	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`OCCN(CCO)C(CO)(CO)CO`
ZINC2334905	0.522	261.4 Da LogP 1.10 TPSA 63.9	✓ Ro5	✓ Clean	`CC(C)CCN(CCC(C)C)C(CO)(CO)CO`
ZINC3159953	0.522	261.4 Da LogP 1.38 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCN(CCCCC)C(CO)(CO)CO`
ZINC1664923	0.500	234.2 Da LogP -1.40 TPSA 162.8	✓ Ro5	✓ Clean	`NC(=O)NC(=O)OCCOC(=O)NC(N)=O`
ZINC4722892	0.500	205.4 Da LogP 0.55 TPSA 72.2	✓ Ro5	✓ Clean	`NC(=O)NC(=O)C(Cl)(Cl)Cl`
ZINC5297554	0.500	289.5 Da LogP 2.16 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCN(CCCCCC)C(CO)(CO)CO`
ZINC97941822	0.500	317.5 Da LogP 2.94 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCCN(CCCCCCC)C(CO)(CO)CO`
ZINC97942927	0.500	373.6 Da LogP 4.51 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCCCCN(CCCCCCCCC)C(CO)(CO)CO`

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.

PA1677