Protein profile

PA0660

hypothetical protein

Genome: NC_002516.2

Gene: PA0660 Structure source: AlphaFold UniProt Q9I5R1

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Amino acids 322

Annotations 1

Features 15

PDB binders 4

Druggability 0.751

Overview

Basic information about this protein and its source genome.

Accession: PA0660
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA0660
Status: annotated
Amino acids: 322
Structure source: AlphaFold

GO:0018580 Catalysis of the reaction: ethylnitronate + O2 = acetaldehyde + nitrite.

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 0.751

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MSLPALLDQRLRLPMVAAPMFLVSNPQLVLACCRSGIVGSFPALNQRESSGFEGWLEEIGAGLQALDNPAPYAVNLIVHNTNPRLQADLRICVEHRVPIVITSLGAVREVVDAVHSYGGLVFHDVTTRRHAEKAAEAGVDGLIAVAAGAGGHAGTWSPFALVAEIRQFFDKTLLLAGCINHGHEILAAQMLGADLAYLGTRFIATRESNASDAYKQMILEARAADIVHTPAVSGVPASFMRQSLEAAGYDLKRLTDKADMNYGEKLKPVNDEAKAWKTVWSAGQGAGNIDDLPGVDELVARLDREYRDALRNMDSLANRWPR

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

GO:0018580 Catalysis of the reaction: ethylnitronate + O2 = acetaldehyde + nitrite.

Sequence Features

Domain/signature hits from InterPro and related databases.

15 records

Show feature table

Start	End	DB	Term	Name
8	318	Gene3D	G3DSA:3.20.20.70	Aldolase class I
8	318	InterPro	IPR013785	Aldolase-type TIM barrel
1	84	PANTHER	PTHR42747	NITRONATE MONOOXYGENASE-RELATED
299	319	Coils	Coil	Coil
16	23	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
8	312	FunFam	G3DSA:3.20.20.70:FF:000210	2-nitropropane dioxygenase
1	15	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
24	31	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
32	322	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	31	Phobius	SIGNAL_PEPTIDE	Signal peptide region
89	302	Pfam	PF03060	Nitronate monooxygenase
89	302	InterPro	IPR004136	Nitronate monooxygenase
6	305	SUPERFAMILY	SSF51412	Inosine monophosphate dehydrogenase (IMPDH)
11	240	CDD	cd04730	NPD_like
11	240	InterPro	IPR004136	Nitronate monooxygenase

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 PA0660	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				0.751

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.

69 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
N1P	4QIU	A0A0M3KKW2	89.1 Da LogP 0.67 TPSA 43.1	✓ Ro5	✓ Clean	`CCC[N+](=O)[O-]`
NIE	4QIT	A0A0M3KKW1	75.1 Da LogP 0.28 TPSA 43.1	✓ Ro5	✓ Clean	`CC[N+](=O)[O-]`
NIS	2GJN	Q9I4V0	89.1 Da LogP 0.67 TPSA 43.1	✓ Ro5	✓ Clean	`CC(C)[N+](=O)[O-]`
TUI	2Z6J	Q9FBC5	482.5 Da LogP 3.86 TPSA 142.1	✓ Ro5	✓ Clean	`c1ccnc(c1)Sc2cnc(s2)NC(=O)NCc3[nH]cc(n3)c4ccc(c…`

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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL244805	Q9FBC5	8.62	487.4 Da LogP 5.16 TPSA 95.6	1 viol.	✓ Clean	`O=C(NCc1ncc(-c2ccc(Br)cc2)[nH]1)Nc1ncc(Sc2ccccn…`
CHEMBL392732	Q9FBC5	8.43	477.4 Da LogP 5.71 TPSA 95.6	1 viol.	✓ Clean	`O=C(NCc1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1)Nc1ncc(Sc2c…`
CHEMBL390211	Q9FBC5	8.35	721.7 Da LogP 7.02 TPSA 138.8	2 viol.	✓ Clean	`Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(-c2c[nH]c…`
CHEMBL390894	Q9FBC5	8.28	487.4 Da LogP 5.16 TPSA 95.6	1 viol.	✓ Clean	`O=C(NCc1ncc(-c2cccc(Br)c2)[nH]1)Nc1ncc(Sc2ccccn…`
CHEMBL175157	Q9FBC5	8.03	671.6 Da LogP 5.87 TPSA 138.8	2 viol.	✓ Clean	`Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(-c2c[nH]c…`
CHEMBL244962	Q9FBC5	7.80	702.7 Da LogP 8.01 TPSA 117.6	2 viol.	✓ Clean	`Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(-c2c[nH]c…`
CHEMBL390895	Q9FBC5	7.54	672.4 Da LogP 7.23 TPSA 104.7	2 viol.	✓ Clean	`Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(-c2c[nH]c…`
CHEMBL242241	Q9FBC5	7.47	504.5 Da LogP -0.47 TPSA 144.9	1 viol.	✓ Clean	`O=C([O-])COc1ccc(-c2cnc(CNC(=O)Nc3ncc(Sc4ccccn4…`
CHEMBL235272	Q9FBC5	7.43	450.5 Da LogP 4.11 TPSA 125.8	✓ Ro5	✓ Clean	`NC(=O)c1ccc(Sc2cnc(NC(=O)NCc3nc(-c4ccccc4)c[nH]…`
CHEMBL237639	Q9FBC5	7.43	407.5 Da LogP 5.01 TPSA 82.7	1 viol.	✓ Clean	`O=C(NCc1nc(-c2ccccc2)c[nH]1)Nc1ncc(Sc2ccccc2)s1`
CHEMBL244804	Q9FBC5	7.38	408.5 Da LogP 4.40 TPSA 95.6	✓ Ro5	✓ Clean	`O=C(NCc1ncc(-c2ccccc2)[nH]1)Nc1ncc(Sc2ccccn2)s1`
CHEMBL245045	Q9FBC5	7.06	427.5 Da LogP 3.41 TPSA 116.8	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)NCc3nc(-c4ccccc4)c[nH]…`
CHEMBL235273	Q9FBC5	7.01	451.5 Da LogP 4.70 TPSA 120.0	✓ Ro5	✓ Clean	`O=C(NCc1nc(-c2ccccc2)c[nH]1)Nc1ncc(Sc2ccc(C(=O)…`
CHEMBL237638	Q9FBC5	6.42	375.5 Da LogP 4.52 TPSA 82.7	✓ Ro5	✓ Clean	`O=C(NCc1nc(-c2ccccc2)c[nH]1)Nc1ncc(-c2ccccc2)s1`
CHEMBL237837	Q9FBC5	6.13	401.5 Da LogP 2.90 TPSA 116.8	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)NCc3nc4ccccc4[nH]3)sc2…`

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
ZINC12323660	0.703	432.6 Da LogP 3.45 TPSA 104.8	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)CSCc3nc4ccccc4[nH]3)sc…`
ZINC38489475	0.652	469.6 Da LogP 3.43 TPSA 108.0	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)C3CCN(Cc4nc5ccccc5[nH]…`
ZINC6144072	0.642	446.6 Da LogP 4.09 TPSA 104.8	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)CCCSc3nc4ccccc4[nH]3)s…`
ZINC8974189	0.610	347.4 Da LogP 3.34 TPSA 88.2	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccccc3)sc2c1`
ZINC97616521	0.607	329.4 Da LogP 1.90 TPSA 91.9	✓ Ro5	✓ Clean	`CS(=O)(=O)c1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1`
ZINC69777982	0.593	291.4 Da LogP 2.70 TPSA 74.2	✓ Ro5	✓ Clean	`CC(C)(O)CNC(=O)Nc1ncc(-c2ccccc2)s1`
ZINC2658090	0.591	385.5 Da LogP 3.36 TPSA 91.9	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)Cc3c[nH]c4ccccc34)sc2c1`
ZINC4679732	0.587	372.5 Da LogP 3.74 TPSA 76.1	✓ Ro5	✓ Clean	`C/C(=C\c1ccccc1)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1`
ZINC6700960	0.587	397.5 Da LogP 4.50 TPSA 88.2	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)Nc3cccc4ccccc34)sc2c1`
ZINC78603810	0.587	363.8 Da LogP 2.55 TPSA 91.9	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nc3ccccc3[nH]2)c1`
ZINC72306134	0.586	345.5 Da LogP 3.63 TPSA 78.9	✓ Ro5	✓ Clean	`CNc1nc(CNC(=O)Nc2ncc(-c3ccccc3)s2)cs1`
ZINC13135072	0.585	422.5 Da LogP 4.55 TPSA 76.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)s…`
ZINC6648282	0.585	408.5 Da LogP 4.62 TPSA 76.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccccc3)sc2c1`
ZINC2886225	0.581	361.4 Da LogP 3.65 TPSA 88.2	✓ Ro5	✓ Clean	`Cc1ccccc1NC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1`
ZINC16678044	0.580	428.5 Da LogP 2.51 TPSA 121.9	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)CCc3nc4ccccc4c(=O)[nH]…`
ZINC3242454	0.578	408.5 Da LogP 4.62 TPSA 76.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc…`
ZINC9089909	0.576	332.4 Da LogP 2.95 TPSA 76.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3)sc2c1`
ZINC3264893	0.574	346.4 Da LogP 2.88 TPSA 76.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1`
ZINC18185404	0.574	423.5 Da LogP 4.32 TPSA 89.0	✓ Ro5	✓ Clean	`Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)c…`
ZINC953121	0.574	438.5 Da LogP 4.38 TPSA 85.4	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccc(-c4ccccc4)cc3)…`
ZINC116241	0.571	270.3 Da LogP 1.66 TPSA 76.1	✓ Ro5	✓ Clean	`CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1`
ZINC2772267	0.571	381.9 Da LogP 4.00 TPSA 88.2	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccccc3Cl)sc2c1`
ZINC2889978	0.571	365.4 Da LogP 3.48 TPSA 88.2	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccccc3F)sc2c1`
ZINC38212806	0.569	215.3 Da LogP 1.71 TPSA 57.8	✓ Ro5	✓ Clean	`CC(=O)NCc1nc(-c2ccccc2)c[nH]1`
ZINC27793338	0.567	399.5 Da LogP 3.61 TPSA 102.2	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(-c4ccccc4)on3)sc2…`
ZINC96924932	0.567	399.5 Da LogP 2.79 TPSA 109.0	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(=O)[nH]c4ccccc34)…`
ZINC55108187	0.565	288.3 Da LogP 2.04 TPSA 95.6	✓ Ro5	✓ Clean	`Cc1nsc(NC(=O)NCc2nc3ccccc3[nH]2)n1`
ZINC85557897	0.565	334.4 Da LogP 3.62 TPSA 70.7	✓ Ro5	✓ Clean	`O=C(NCc1nc(-c2ccccc2)c[nH]1)c1nc2ccccc2s1`
ZINC3549764	0.563	380.9 Da LogP 3.53 TPSA 76.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccccc3Cl)sc2c1`
ZINC9599555	0.563	424.5 Da LogP 2.50 TPSA 110.3	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)c3ccccc3)sc…`
ZINC4496643	0.561	378.5 Da LogP 3.43 TPSA 76.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)CSc3ccccc3)sc2c1`
ZINC892887	0.561	362.4 Da LogP 2.72 TPSA 85.4	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccccc3)sc2c1`
ZINC145449	0.559	284.4 Da LogP 2.05 TPSA 76.1	✓ Ro5	✓ Clean	`CCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1`
ZINC3248710	0.557	438.5 Da LogP 4.38 TPSA 85.4	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccccc3-c3ccccc3)sc…`
ZINC20744499	0.556	460.6 Da LogP 2.81 TPSA 121.9	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)CSCc3nc4ccccc4c(=O)[nH…`
ZINC44902102	0.556	440.5 Da LogP 2.56 TPSA 111.0	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O…`
ZINC4731582	0.556	410.5 Da LogP 2.11 TPSA 110.3	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2…`
ZINC8997096	0.556	436.6 Da LogP 4.86 TPSA 76.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)s…`
ZINC841201	0.554	458.3 Da LogP 3.56 TPSA 76.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3I)sc2c1`
ZINC917642	0.554	374.5 Da LogP 3.66 TPSA 76.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1`
ZINC953115	0.554	434.5 Da LogP 4.88 TPSA 76.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)/C(=C/c3ccccc3)c3ccccc…`
ZINC14462727	0.552	431.6 Da LogP 4.27 TPSA 89.0	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)CCCc3nc4ccccc4s3)sc2c1`
ZINC36354616	0.552	414.5 Da LogP 4.68 TPSA 76.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)s3)sc2…`
ZINC145665	0.550	310.4 Da LogP 2.60 TPSA 76.1	✓ Ro5	✓ Clean	`CC(C)=CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1`
ZINC74805157	0.550	352.5 Da LogP 3.32 TPSA 76.1	✓ Ro5	✓ Clean	`CC1(C)C(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)C1(C)C`
ZINC2633847	0.549	474.6 Da LogP 4.80 TPSA 93.9	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(-c4ccccc4)nn3-c3c…`
ZINC49027826	0.549	428.5 Da LogP 2.55 TPSA 121.0	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)CNC(=O)c3c[nH]c4ccccc3…`
ZINC252501964	0.548	344.4 Da LogP 2.58 TPSA 96.2	✓ Ro5	✓ Clean	`CN(C)c1noc(CNC(=O)Nc2ncc(-c3ccccc3)s2)n1`
ZINC2737213	0.548	422.5 Da LogP 4.47 TPSA 76.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc…`
ZINC62716546	0.548	318.4 Da LogP 3.31 TPSA 59.1	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc2nc(NCc3ccccc3)sc2c1`

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.