Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA2052
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2052 cynS
Status: annotated
Amino acids: 156
Structure source: AlphaFold

EC

4.2.1.104

GO

GO:0008824 Catalysis of the reaction: cyanate + hydrogencarbonate + 3 H+ = NH4+ + 2 CO2. GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid). GO:0009440 The chemical reactions and pathways resulting in the breakdown of cyanate, NCO-, the anion of cyanic acid. GO:0009439 OBSOLETE. The chemical reactions and pathways involving cyanate, NCO-, the anion of cyanic acid.

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 0.861

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Enzyme Commission (EC)

1

4.2.1.104

Gene Ontology (GO)

4

GO:0008824 Catalysis of the reaction: cyanate + hydrogencarbonate + 3 H+ = NH4+ + 2 CO2.
GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
GO:0009440 The chemical reactions and pathways resulting in the breakdown of cyanate, NCO-, the anion of cyanic acid.
GO:0009439 OBSOLETE. The chemical reactions and pathways involving cyanate, NCO-, the anion of cyanic acid.

Sequence Features

Domain/signature hits from InterPro and related databases.

32 records

Show feature table

Start	End	DB	Term	Name
1	88	Gene3D	G3DSA:1.10.260.40	-
1	88	InterPro	IPR010982	Lambda repressor-like, DNA-binding domain superfamily
88	153	Pfam	PF02560	Cyanate lyase C-terminal domain
88	153	InterPro	IPR003712	Cyanate lyase, C-terminal
9	154	PANTHER	PTHR34186	CYANATE HYDRATASE
9	154	InterPro	IPR008076	Cyanate hydratase
88	155	SUPERFAMILY	SSF55234	Cyanase C-terminal domain
88	155	InterPro	IPR036581	Cyanate lyase, C-terminal domain superfamily
3	156	PIRSF	PIRSF001263	Cyanate_hydratas
3	156	InterPro	IPR008076	Cyanate hydratase
2	85	SUPERFAMILY	SSF47413	lambda repressor-like DNA-binding domains
2	85	InterPro	IPR010982	Lambda repressor-like, DNA-binding domain superfamily
91	105	PRINTS	PR01693	Cyanase signature
91	105	InterPro	IPR008076	Cyanate hydratase
141	151	PRINTS	PR01693	Cyanase signature
141	151	InterPro	IPR008076	Cyanate hydratase
22	37	PRINTS	PR01693	Cyanase signature
22	37	InterPro	IPR008076	Cyanate hydratase
42	59	PRINTS	PR01693	Cyanase signature
42	59	InterPro	IPR008076	Cyanate hydratase
109	125	PRINTS	PR01693	Cyanase signature
109	125	InterPro	IPR008076	Cyanate hydratase
4	156	NCBIfam	TIGR00673	cyanase
4	156	InterPro	IPR008076	Cyanate hydratase
1	156	Hamap	MF_00535	Cyanate hydratase [cynS].
1	156	InterPro	IPR008076	Cyanate hydratase
88	156	CDD	cd00559	Cyanase_C
88	156	InterPro	IPR003712	Cyanate lyase, C-terminal
83	156	SMART	SM01116	Cyanate_lyase_2
83	156	InterPro	IPR003712	Cyanate lyase, C-terminal
89	156	Gene3D	G3DSA:3.30.1160.10	-
89	156	InterPro	IPR036581	Cyanate lyase, C-terminal domain 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...

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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 PA2052	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				0.861
6				0.549
1				0.415

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.

1 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
AZI	2IUO	P00816	42.0 Da LogP 0.87 TPSA 58.7	✓ Ro5	Alert	`[N-]=[N+]=[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).

No virtual-screening candidates for this protein.

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.

PA2052