Protein profile

PA1293

hypothetical protein

Genome: NC_002516.2

Gene: PA1293 Structure source: AlphaFold UniProt Q9I451

Export view

Amino acids 353

Annotations 3

Features 14

PDB binders 10

Druggability 0.894

Overview

Basic information about this protein and its source genome.

Accession: PA1293
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1293
Status: annotated
Amino acids: 353
Structure source: AlphaFold

GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc. GO:0009058 A cellular process consisting of the biochemical pathways by which a living organism synthesizes chemical substances. This typically represents the energy-requiring part of metabolism in which simpler substances are transformed into more complex ones. GO:0016844 Catalysis of the reaction: 3alpha(S)-strictosidine + H2O = secologanin + tryptamine.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 37.772
Human E-value: 7.64e-65
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 0.894

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.
GO:0009058 A cellular process consisting of the biochemical pathways by which a living organism synthesizes chemical substances. This typically represents the energy-requiring part of metabolism in which simpler substances are transformed into more complex ones.
GO:0016844 Catalysis of the reaction: 3alpha(S)-strictosidine + H2O = secologanin + tryptamine.

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records

Show feature table

Start	End	DB	Term	Name
1	22	Phobius	SIGNAL_PEPTIDE	Signal peptide region
48	353	FunFam	G3DSA:2.120.10.30:FF:000066	ABC transporter permease protein
147	234	Pfam	PF03088	Strictosidine synthase
147	234	InterPro	IPR018119	Strictosidine synthase, conserved region
41	86	Pfam	PF20067	Strictosidine synthase-like, N-terminal
18	22	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
4	17	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
10	342	PANTHER	PTHR10426	STRICTOSIDINE SYNTHASE-RELATED
46	352	Gene3D	G3DSA:2.120.10.30	-
46	352	InterPro	IPR011042	Six-bladed beta-propeller, TolB-like
23	353	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	20	SignalP_EUK	SignalP-TM	SignalP-TM
41	350	SUPERFAMILY	SSF63829	Calcium-dependent phosphotriesterase
1	3	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.

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 PA1293	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				0.894
6				0.348

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.

61 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
0LH	3V1S	P68175	160.2 Da LogP 1.60 TPSA 30.9	✓ Ro5	✓ Clean	`c1ccc2c(c1)ccn2CCN`
1ES	4IMB	P68175	174.2 Da LogP 1.68 TPSA 30.9	✓ Ro5	✓ Clean	`Cn1cc(c2c1cccc2)CCN`
1HU	4IYG	P68175	174.2 Da LogP 1.93 TPSA 27.8	✓ Ro5	✓ Clean	`CNCCc1c[nH]c2c1cccc2`
KDY	6N5V	P68175	160.2 Da LogP 1.67 TPSA 41.8	✓ Ro5	✓ Clean	`c1cc(c2cc[nH]c2c1)CCN`
KW8	6S5J	Q94LW9	200.3 Da LogP 2.76 TPSA 27.8	✓ Ro5	Alert	`CC[C@H]1c2c(c3ccccc3[nH]2)CCN1`
KWH	6S5M	Q94LW9	214.3 Da LogP 3.15 TPSA 27.8	✓ Ro5	Alert	`CCC[C@H]1c2c(c3ccccc3[nH]2)CCN1`
KWK	6S5U	Q94LW9	230.4 Da LogP 3.35 TPSA 27.8	✓ Ro5	✓ Clean	`CC(C)CCNCCc1c[nH]c2c1cccc2`
KWQ	6S5Q	Q94LW9	228.3 Da LogP 3.40 TPSA 27.8	✓ Ro5	Alert	`CC(C)C[C@H]1c2c(c3ccccc3[nH]2)CCN1`
TLA	2FP9	P68175	150.1 Da LogP -2.12 TPSA 115.1	✓ Ro5	✓ Clean	`[C@@H]([C@H](C(=O)O)O)(C(=O)O)O`
TSS	2FPB	P68175	160.2 Da LogP 1.67 TPSA 41.8	✓ Ro5	✓ Clean	`c1ccc2c(c1)c(c[nH]2)CCN`

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
DWT	Q9HDC9	7.15	503.5 Da LogP 5.75 TPSA 97.6	2 viol.	✓ Clean	`Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5c…`

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
ZINC83156	1.000	200.3 Da LogP 2.76 TPSA 27.8	✓ Ro5	Alert	`CC[C@@H]1NCCc2c1[nH]c1ccccc21`
ZINC83161	1.000	200.3 Da LogP 2.76 TPSA 27.8	✓ Ro5	Alert	`CC[C@H]1NCCc2c1[nH]c1ccccc21`
ZINC4320822	0.767	216.3 Da LogP 3.23 TPSA 41.8	✓ Ro5	✓ Clean	`NCCCCCCc1c[nH]c2ccccc12`
ZINC200349467	0.744	216.3 Da LogP 1.74 TPSA 48.0	✓ Ro5	Alert	`OCC[C@@H]1NCCc2c1[nH]c1ccccc21`
ZINC200349507	0.744	216.3 Da LogP 1.74 TPSA 48.0	✓ Ro5	Alert	`OCC[C@H]1NCCc2c1[nH]c1ccccc21`
ZINC12359024	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O`
ZINC13533920	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC1532740	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O`
ZINC1549593	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC19848891	0.692	262.4 Da LogP 3.60 TPSA 27.8	✓ Ro5	Alert	`c1ccc(C[C@H]2NCCc3c2[nH]c2ccccc32)cc1`
ZINC19848892	0.692	262.4 Da LogP 3.60 TPSA 27.8	✓ Ro5	Alert	`c1ccc(C[C@@H]2NCCc3c2[nH]c2ccccc32)cc1`
ZINC2013424	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O`
ZINC3581021	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC3860635	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O`
ZINC5783661	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O`
ZINC6072527	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC68848	0.686	202.3 Da LogP 2.71 TPSA 27.8	✓ Ro5	✓ Clean	`CC(C)NCCc1c[nH]c2ccccc12`
ZINC31456432	0.683	228.3 Da LogP 2.33 TPSA 44.9	✓ Ro5	Alert	`CC(=O)C[C@@H]1NCCc2c1[nH]c1ccccc21`
ZINC31456437	0.683	228.3 Da LogP 2.33 TPSA 44.9	✓ Ro5	Alert	`CC(=O)C[C@H]1NCCc2c1[nH]c1ccccc21`
ZINC2738721	0.676	289.4 Da LogP 3.98 TPSA 43.6	✓ Ro5	✓ Clean	`c1ccc2c(CCNCc3c[nH]c4ccccc34)c[nH]c2c1`
ZINC4600317	0.676	202.3 Da LogP 2.72 TPSA 30.9	✓ Ro5	✓ Clean	`CC(C)n1cc(CCN)c2ccccc21`
ZINC84483276	0.676	216.3 Da LogP 1.45 TPSA 63.7	✓ Ro5	✓ Clean	`CNC(=N)NCCc1c[nH]c2ccccc12`
ZINC19958085	0.675	254.3 Da LogP 3.31 TPSA 27.8	✓ Ro5	Alert	`FC(F)(F)C[C@@H]1NCCc2c1[nH]c1ccccc21`
ZINC19958090	0.675	254.3 Da LogP 3.31 TPSA 27.8	✓ Ro5	Alert	`FC(F)(F)C[C@H]1NCCc2c1[nH]c1ccccc21`
ZINC4090605	0.659	230.3 Da LogP 1.83 TPSA 65.1	✓ Ro5	Alert	`O=C(O)C[C@@H]1NCCc2c1[nH]c1ccccc21`
ZINC4090607	0.659	230.3 Da LogP 1.83 TPSA 65.1	✓ Ro5	Alert	`O=C(O)C[C@H]1NCCc2c1[nH]c1ccccc21`
ZINC4685248	0.658	233.3 Da LogP 1.80 TPSA 39.8	✓ Ro5	✓ Clean	`CNC(=S)NCCc1c[nH]c2ccccc12`
ZINC95080096	0.652	258.4 Da LogP 3.41 TPSA 37.0	✓ Ro5	Alert	`COc1ccc2c3c([nH]c2c1)[C@@H](CC(C)C)NCC3`
ZINC95080097	0.652	258.4 Da LogP 3.41 TPSA 37.0	✓ Ro5	Alert	`COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)NCC3`
ZINC174849	0.649	202.3 Da LogP 1.85 TPSA 44.9	✓ Ro5	✓ Clean	`CC(=O)NCCc1c[nH]c2ccccc12`
ZINC36612267	0.649	252.3 Da LogP 1.65 TPSA 62.0	✓ Ro5	✓ Clean	`CCS(=O)(=O)NCCc1c[nH]c2ccccc12`
ZINC25665478	0.644	258.3 Da LogP 2.31 TPSA 54.1	✓ Ro5	Alert	`CCOC(=O)C[C@@H]1NCCc2c1[nH]c1ccccc21`
ZINC25665484	0.644	258.3 Da LogP 2.31 TPSA 54.1	✓ Ro5	Alert	`CCOC(=O)C[C@H]1NCCc2c1[nH]c1ccccc21`
ZINC2847015	0.641	245.3 Da LogP 0.57 TPSA 74.0	✓ Ro5	✓ Clean	`CNC(=O)C(=O)NCCc1c[nH]c2ccccc12`
ZINC10475280	0.639	264.4 Da LogP 3.54 TPSA 27.8	✓ Ro5	✓ Clean	`c1ccc(CCNCCc2c[nH]c3ccccc23)cc1`
ZINC1755233	0.639	374.4 Da LogP 2.67 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(NCCc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12`
ZINC2486922	0.639	204.3 Da LogP 1.29 TPSA 48.0	✓ Ro5	✓ Clean	`OCCNCCc1c[nH]c2ccccc12`
ZINC3876612	0.639	220.3 Da LogP 2.23 TPSA 27.8	✓ Ro5	✓ Clean	`SCCNCCc1c[nH]c2ccccc12`
ZINC72210219	0.639	202.3 Da LogP 2.71 TPSA 27.8	✓ Ro5	✓ Clean	`CN[C@@H](C)CCc1c[nH]c2ccccc12`
ZINC72210220	0.639	202.3 Da LogP 2.71 TPSA 27.8	✓ Ro5	✓ Clean	`CN[C@H](C)CCc1c[nH]c2ccccc12`
ZINC195441661	0.638	312.5 Da LogP 4.96 TPSA 27.8	✓ Ro5	Alert	`C/C=C(/CC[C@@H]1NCCc2c1[nH]c1ccccc21)[Si](C)(C)C`
ZINC195441666	0.638	312.5 Da LogP 4.96 TPSA 27.8	✓ Ro5	Alert	`C/C=C(/CC[C@H]1NCCc2c1[nH]c1ccccc21)[Si](C)(C)C`
ZINC195498429	0.638	312.5 Da LogP 4.96 TPSA 27.8	✓ Ro5	Alert	`C/C=C(\CC[C@@H]1NCCc2c1[nH]c1ccccc21)[Si](C)(C)C`
ZINC195498433	0.638	312.5 Da LogP 4.96 TPSA 27.8	✓ Ro5	Alert	`C/C=C(\CC[C@H]1NCCc2c1[nH]c1ccccc21)[Si](C)(C)C`
ZINC252427	0.634	214.3 Da LogP 3.01 TPSA 27.8	✓ Ro5	Alert	`CC(C)[C@H]1NCCc2c1[nH]c1ccccc21`
ZINC4508861	0.634	214.3 Da LogP 3.01 TPSA 27.8	✓ Ro5	Alert	`CC(C)[C@@H]1NCCc2c1[nH]c1ccccc21`
ZINC456663	0.632	230.3 Da LogP 2.48 TPSA 44.9	✓ Ro5	✓ Clean	`CC(C)C(=O)NCCc1c[nH]c2ccccc12`
ZINC2583769	0.629	208.7 Da LogP 2.33 TPSA 30.9	✓ Ro5	✓ Clean	`Cn1cc(CCN)c2cc(Cl)ccc21`
ZINC68576880	0.629	208.7 Da LogP 2.33 TPSA 30.9	✓ Ro5	✓ Clean	`Cn1cc(CCN)c2ccc(Cl)cc21`
ZINC96032861	0.625	205.3 Da LogP 3.78 TPSA 4.9	✓ Ro5	✓ Clean	`FCCCCCn1ccc2ccccc21`

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.