Protein profile

PA1579

hypothetical protein

Genome: NC_002516.2

Gene: PA1579 Structure source: AlphaFold UniProt Q9I3D8

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Amino acids 202

Annotations 2

Features 19

PDB binders 0

Druggability 0.859

Overview

Basic information about this protein and its source genome.

Accession: PA1579
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1579
Status: annotated
Amino acids: 202
Structure source: AlphaFold

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0008289 Binding to a lipid.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 26.061
Human E-value: 8.63e-06
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Unknown

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 0.859

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0008289 Binding to a lipid.

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records

Show feature table

Start	End	DB	Term	Name
1	7	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
8	18	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
22	201	SUPERFAMILY	SSF55961	Bet v1-like
24	202	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
24	201	PANTHER	PTHR19308	PHOSPHATIDYLCHOLINE TRANSFER PROTEIN
13	200	CDD	cd08876	START_1
13	200	InterPro	IPR028347	START domain-containing protein
24	202	ProSiteProfiles	PS50848	START domain profile.
24	202	InterPro	IPR002913	START domain
1	23	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
1	23	SignalP_EUK	SignalP-noTM	SignalP-noTM
1	23	Phobius	SIGNAL_PEPTIDE	Signal peptide region
19	23	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
1	202	PIRSF	PIRSF039033	START_dom
1	202	InterPro	IPR028347	START domain-containing protein
23	194	Pfam	PF01852	START domain
23	194	InterPro	IPR002913	START domain
23	202	Gene3D	G3DSA:3.30.530.20	-
23	202	InterPro	IPR023393	START-like 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 PA1579	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				0.859

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.

No PDB ligands found through similar proteins.

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
CHEMBL4522144	Q9UKL6	—	405.3 Da LogP 5.10 TPSA 56.0	1 viol.	✓ Clean	`O=C(Nc1cc(Cl)cc(Cl)c1)C(Sc1cccc[n+]1[O-])c1cccc…`
CHEMBL4577274	Q9UKL6	—	494.4 Da LogP 4.16 TPSA 130.1	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(=O)c3ccc(Cl…`

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
ZINC115621352	1.000	494.4 Da LogP 4.16 TPSA 130.1	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(=O)c3ccc(Cl…`
ZINC652087	0.857	451.3 Da LogP 4.45 TPSA 101.0	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl…`
ZINC12453331	0.773	336.4 Da LogP 3.79 TPSA 56.0	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1`
ZINC12453341	0.773	336.4 Da LogP 3.79 TPSA 56.0	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1)[C@H](Sc1cccc[n+]1[O-])c1ccccc1`
ZINC671901	0.735	431.9 Da LogP 4.19 TPSA 113.1	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)…`
ZINC671098	0.731	451.3 Da LogP 4.45 TPSA 101.0	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl…`
ZINC6566592	0.725	384.9 Da LogP 4.75 TPSA 56.0	✓ Ro5	✓ Clean	`Cc1ccc(NC(=O)[C@H](Sc2cccc[n+]2[O-])c2ccccc2)cc…`
ZINC6846370	0.725	384.9 Da LogP 4.75 TPSA 56.0	✓ Ro5	✓ Clean	`Cc1ccc(NC(=O)[C@@H](Sc2cccc[n+]2[O-])c2ccccc2)c…`
ZINC676985	0.714	437.3 Da LogP 4.14 TPSA 101.0	✓ Ro5	✓ Clean	`Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc…`
ZINC1565797	0.704	466.4 Da LogP 4.85 TPSA 113.1	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3cc(Cl)ccc3C…`
ZINC6502123	0.694	350.4 Da LogP 4.10 TPSA 56.0	✓ Ro5	✓ Clean	`Cc1ccc(NC(=O)[C@H](Sc2cccc[n+]2[O-])c2ccccc2)cc1`
ZINC6502127	0.694	350.4 Da LogP 4.10 TPSA 56.0	✓ Ro5	✓ Clean	`Cc1ccc(NC(=O)[C@@H](Sc2cccc[n+]2[O-])c2ccccc2)c…`
ZINC7507318	0.694	354.4 Da LogP 3.93 TPSA 56.0	✓ Ro5	✓ Clean	`O=C(Nc1ccc(F)cc1)[C@@H](Sc1cccc[n+]1[O-])c1cccc…`
ZINC7507319	0.694	354.4 Da LogP 3.93 TPSA 56.0	✓ Ro5	✓ Clean	`O=C(Nc1ccc(F)cc1)[C@H](Sc1cccc[n+]1[O-])c1ccccc1`
ZINC5779919	0.685	400.9 Da LogP 4.45 TPSA 65.3	✓ Ro5	✓ Clean	`COc1ccc(NC(=O)[C@H](Sc2cccc[n+]2[O-])c2ccccc2)c…`
ZINC5779921	0.685	400.9 Da LogP 4.45 TPSA 65.3	✓ Ro5	✓ Clean	`COc1ccc(NC(=O)[C@@H](Sc2cccc[n+]2[O-])c2ccccc2)…`
ZINC652124	0.679	416.9 Da LogP 3.80 TPSA 101.0	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2…`
ZINC3217825	0.673	466.4 Da LogP 4.85 TPSA 113.1	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl…`
ZINC7507269	0.673	378.5 Da LogP 3.99 TPSA 73.1	✓ Ro5	✓ Clean	`CC(=O)c1cccc(NC(=O)[C@H](Sc2cccc[n+]2[O-])c2ccc…`
ZINC7507270	0.673	378.5 Da LogP 3.99 TPSA 73.1	✓ Ro5	✓ Clean	`CC(=O)c1cccc(NC(=O)[C@@H](Sc2cccc[n+]2[O-])c2cc…`
ZINC1003790	0.667	431.9 Da LogP 4.19 TPSA 113.1	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)…`
ZINC1140352	0.667	451.3 Da LogP 4.45 TPSA 101.1	✓ Ro5	✓ Clean	`Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)…`
ZINC754527	0.667	425.5 Da LogP 2.86 TPSA 130.1	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(=O)c3ccccc3…`
ZINC829040	0.660	416.9 Da LogP 3.80 TPSA 101.0	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c…`
ZINC3223207	0.648	404.4 Da LogP 4.81 TPSA 56.0	✓ Ro5	✓ Clean	`O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1cccc[n+]1[O-]…`
ZINC3223208	0.648	404.4 Da LogP 4.81 TPSA 56.0	✓ Ro5	✓ Clean	`O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Sc1cccc[n+]1[O-])…`
ZINC945519	0.630	451.3 Da LogP 4.45 TPSA 101.0	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)…`
ZINC2709571	0.627	461.9 Da LogP 3.71 TPSA 144.2	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3[N…`
ZINC631648	0.627	481.4 Da LogP 4.22 TPSA 110.3	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3…`
ZINC652083	0.625	416.9 Da LogP 3.80 TPSA 101.0	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c…`
ZINC670861	0.620	452.9 Da LogP 3.35 TPSA 118.1	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c…`
ZINC8442293	0.618	430.9 Da LogP 3.73 TPSA 101.0	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)…`
ZINC870317	0.615	397.5 Da LogP 3.54 TPSA 113.1	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)…`
ZINC31652991	0.612	302.4 Da LogP 2.68 TPSA 56.0	✓ Ro5	✓ Clean	`CC(C)NC(=O)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1`
ZINC31652994	0.612	302.4 Da LogP 2.68 TPSA 56.0	✓ Ro5	✓ Clean	`CC(C)NC(=O)[C@H](Sc1cccc[n+]1[O-])c1ccccc1`
ZINC3224136	0.611	364.5 Da LogP 4.41 TPSA 56.0	✓ Ro5	✓ Clean	`Cc1ccc(C)c(NC(=O)[C@H](Sc2cccc[n+]2[O-])c2ccccc…`
ZINC3224137	0.611	364.5 Da LogP 4.41 TPSA 56.0	✓ Ro5	✓ Clean	`Cc1ccc(C)c(NC(=O)[C@@H](Sc2cccc[n+]2[O-])c2cccc…`
ZINC898286	0.610	437.3 Da LogP 4.14 TPSA 101.0	✓ Ro5	✓ Clean	`Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc…`
ZINC670583	0.607	495.4 Da LogP 4.61 TPSA 110.3	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc…`
ZINC670587	0.607	495.4 Da LogP 4.61 TPSA 110.3	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc…`
ZINC116166	0.604	297.8 Da LogP 2.55 TPSA 72.0	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1`
ZINC3220950	0.604	308.8 Da LogP 3.09 TPSA 56.0	✓ Ro5	✓ Clean	`C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc(Cl)c1`
ZINC3220951	0.604	308.8 Da LogP 3.09 TPSA 56.0	✓ Ro5	✓ Clean	`C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc(Cl)c1`
ZINC9378598	0.604	349.4 Da LogP 2.04 TPSA 113.1	✓ Ro5	✓ Clean	`CCNC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1`
ZINC16750102	0.600	341.4 Da LogP 3.09 TPSA 82.1	✓ Ro5	✓ Clean	`Cc1cc(NC(=O)[C@@H](Sc2cccc[n+]2[O-])c2ccccc2)no1`
ZINC16750105	0.600	341.4 Da LogP 3.09 TPSA 82.1	✓ Ro5	✓ Clean	`Cc1cc(NC(=O)[C@H](Sc2cccc[n+]2[O-])c2ccccc2)no1`
ZINC30956	0.600	296.2 Da LogP 3.65 TPSA 54.9	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NC(=O)c2ccc(Cl)cc2Cl)n1`
ZINC52440	0.600	320.4 Da LogP 1.85 TPSA 101.0	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1`
ZINC671758	0.600	487.4 Da LogP 4.00 TPSA 118.1	✓ Ro5	✓ Clean	`Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)cc…`
ZINC6988593	0.600	300.4 Da LogP 2.43 TPSA 56.0	✓ Ro5	✓ Clean	`O=C(NC1CC1)[C@H](Sc1cccc[n+]1[O-])c1ccccc1`

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.