Protein profile

PA3561

1-phosphofructokinase

Genome: NC_002516.2

Gene: PA3561 fruK Structure source: AlphaFold UniProt Q9HY56

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Amino acids 314

Annotations 9

Features 20

PDB binders 2

Druggability 0.681

Overview

Basic information about this protein and its source genome.

Accession: PA3561
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA3561 fruK
Status: annotated
Amino acids: 314
Structure source: AlphaFold

GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0008662 Catalysis of the reaction: ATP + D-fructose 1-phosphate = ADP + D-fructose 1,6-bisphosphate. GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0008443 Catalysis of the transfer of a phosphate group, usually from ATP, to a phosphofructose substrate molecule. GO:0016052 The chemical reactions and pathways resulting in the breakdown of carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y. GO:0044281 The chemical reactions and pathways involving small molecules, any low molecular weight, monomeric, non-encoded molecule.

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 0.681

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MARILTITLNPALDLTVRLRQLELGAVNRSEAVLTQAAGKGLNVAQVLADLGHRLTVSGFLGEDNQPPFTAMFQRRGFADAFVRVPGETRSNIKLAERGGRVSDLNGPGPEADERAQAALLERLDRLAGEHELAVVAGSLPRGVEPEWLGELLRRLRRLGLKVAFDSSGAALREGVKAAPWMIKPNVEELADLCSAPMDDLVAQRQAAERLRHDGVGQVVISQGAAGVNWFAAEGAWQARPPAVEVASTVGAGDSLLAGMLHGLASGWPAERVLRQATAIASLAVTQFEFGIGDPQRLARIEAGVVVQPLVEEA

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

9 GO

Gene Ontology (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:0008662 Catalysis of the reaction: ATP + D-fructose 1-phosphate = ADP + D-fructose 1,6-bisphosphate.
GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
GO:0008443 Catalysis of the transfer of a phosphate group, usually from ATP, to a phosphofructose substrate molecule.
GO:0016052 The chemical reactions and pathways resulting in the breakdown of carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
GO:0044281 The chemical reactions and pathways involving small molecules, any low molecular weight, monomeric, non-encoded molecule.
GO:0016773 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to an alcohol group (acceptor).
GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.

Sequence Features

Domain/signature hits from InterPro and related databases.

20 records

Show feature table

Start	End	DB	Term	Name
14	289	Pfam	PF00294	pfkB family carbohydrate kinase
14	289	InterPro	IPR011611	Carbohydrate kinase PfkB
38	62	ProSitePatterns	PS00583	pfkB family of carbohydrate kinases signature 1.
38	62	InterPro	IPR002173	Carbohydrate/purine kinase, PfkB, conserved site
1	310	PIRSF	PIRSF000535	1PFK/6PFK/LacC
1	310	InterPro	IPR017583	Tagatose/fructose phosphokinase
3	310	FunFam	G3DSA:3.40.1190.20:FF:000001	Phosphofructokinase
3	310	PANTHER	PTHR46566	1-PHOSPHOFRUCTOKINASE-RELATED
4	295	SUPERFAMILY	SSF53613	Ribokinase-like
4	295	InterPro	IPR029056	Ribokinase-like
4	307	NCBIfam	TIGR03828	1-phosphofructokinase
4	307	InterPro	IPR022463	Fructose 1-phosphate kinase
4	307	NCBIfam	TIGR03168	hexose kinase, FruK/PfkB/LacC family
4	307	InterPro	IPR017583	Tagatose/fructose phosphokinase
248	261	ProSitePatterns	PS00584	pfkB family of carbohydrate kinases signature 2.
248	261	InterPro	IPR002173	Carbohydrate/purine kinase, PfkB, conserved site
3	291	CDD	cd01164	FruK_PfkB_like
3	291	InterPro	IPR017583	Tagatose/fructose phosphokinase
2	314	Gene3D	G3DSA:3.40.1190.20	-
2	314	InterPro	IPR029056	Ribokinase-like

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 PA3561	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				0.681

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.

52 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
POP	3UQE	P06999	176.0 Da LogP -2.08 TPSA 129.9	✓ Ro5	✓ Clean	`O[P@@](=O)([O-])O[P@@](=O)(O)[O-]`
RIB	6ILS	A1A6H3	150.1 Da LogP -2.58 TPSA 90.2	✓ Ro5	✓ Clean	`C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)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
ZINC1532902	0.700	206.2 Da LogP -0.86 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O`
ZINC2018106	0.700	206.2 Da LogP -0.86 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(O)CC[C@](O)(CC(=O)O)C(=O)O`
ZINC3593496	0.652	206.2 Da LogP -1.16 TPSA 121.1	✓ Ro5	✓ Clean	`COC(=O)C[C@@](O)(CC(=O)O)C(=O)O`
ZINC3593497	0.652	206.2 Da LogP -1.16 TPSA 121.1	✓ Ro5	✓ Clean	`COC(=O)C[C@](O)(CC(=O)O)C(=O)O`
ZINC14686440	0.625	436.4 Da LogP -2.64 TPSA 247.9	1 viol.	✓ Clean	`O=C(O)C[C@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=O…`
ZINC14686442	0.625	436.4 Da LogP -2.64 TPSA 247.9	1 viol.	✓ Clean	`O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@](O)(CC(=O…`
ZINC14686444	0.625	436.4 Da LogP -2.64 TPSA 247.9	1 viol.	✓ Clean	`O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=…`
ZINC104251170	0.600	207.2 Da LogP -2.65 TPSA 93.4	✓ Ro5	✓ Clean	`CN(C)[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O`
ZINC203488208	0.600	207.2 Da LogP -2.65 TPSA 93.4	✓ Ro5	✓ Clean	`CN(C)[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O`
ZINC257346191	0.600	207.2 Da LogP -2.65 TPSA 93.4	✓ Ro5	✓ Clean	`CN(C)[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O`
ZINC257346192	0.600	207.2 Da LogP -2.65 TPSA 93.4	✓ Ro5	✓ Clean	`CN(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1O`
ZINC100352116	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H…`
ZINC101411480	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]…`
ZINC12358758	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@…`
ZINC12358840	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H…`
ZINC12953204	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H]…`
ZINC13536670	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@@…`
ZINC13542690	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@@H…`
ZINC13543975	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@…`
ZINC13544017	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](O[C@H]2[C@@H](CO)O[C@H](O)[C@H](…`
ZINC1857776272	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H]…`
ZINC1857776274	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@H]…`
ZINC1857777750	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@…`
ZINC202563257	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H…`
ZINC21984931	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[C@@…`
ZINC245204744	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@H…`
ZINC245204745	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H…`
ZINC253615779	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@H]…`
ZINC257362198	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]…`
ZINC26892042	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[C@…`
ZINC35262677	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@…`
ZINC3830984	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H…`
ZINC38599730	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]…`
ZINC38792149	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](O[C@H]2[C@@H](CO)O[C@H](O)[C@H]…`
ZINC3978744	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H…`
ZINC4095762	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H…`
ZINC4095793	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H…`
ZINC4096703	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]…`
ZINC4097113	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@…`
ZINC4097481	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H…`
ZINC4261771	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@…`
ZINC43943076	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@@…`
ZINC5222455	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@H]…`
ZINC53684310	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@H…`
ZINC575127214	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H…`
ZINC575127215	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H…`
ZINC599389313	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@H]…`
ZINC605695144	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@…`
ZINC613838159	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H…`
ZINC72283165	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O)[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.