Protein profile

PA1402

hypothetical protein

Genome: NC_002516.2

Gene: PA1402 Structure source: AlphaFold UniProt Q9I3U2

Export view

Amino acids 221

Annotations 2

Features 8

PDB binders 4

Druggability 0.736

Overview

Basic information about this protein and its source genome.

Accession: PA1402
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1402
Status: annotated
Amino acids: 221
Structure source: AlphaFold

GO:0008171 Catalysis of the transfer of a methyl group to the oxygen atom of an acceptor molecule. GO:0032259 The process in which a methyl group is covalently attached to a 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 0.736

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MNTLTNAPLADLLQRLFAEAEASAPGDSPALADLSEAELKRLMGSKTEYREFYGRLKDLALPVSRETGCLLYMLARSSSARSIVEFGTSFGLSTLHLAAALRDNGGGRLIGSEFEPSKAERARRNLAAGGLLDLVELREGDALQTLAKDLPDSIDLVLLDGAKALYPEVLALLESRLRPGALVIADNAEHSPEYLAHVRSPANGYLSTPFAEDVELSMRLG

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

GO:0008171 Catalysis of the transfer of a methyl group to the oxygen atom of an acceptor molecule.
GO:0032259 The process in which a methyl group is covalently attached to a molecule.

Sequence Features

Domain/signature hits from InterPro and related databases.

8 records

Show feature table

Start	End	DB	Term	Name
35	217	Gene3D	G3DSA:3.40.50.150	Vaccinia Virus protein VP39
35	217	InterPro	IPR029063	S-adenosyl-L-methionine-dependent methyltransferase superfamily
2	220	PANTHER	PTHR43167	PUTATIVE (AFU_ORTHOLOGUE AFUA_6G01830)-RELATED
46	190	SUPERFAMILY	SSF53335	S-adenosyl-L-methionine-dependent methyltransferases
46	190	InterPro	IPR029063	S-adenosyl-L-methionine-dependent methyltransferase superfamily
22	221	ProSiteProfiles	PS51682	SAM-dependent O-methyltransferase class I-type profile.
22	221	InterPro	IPR002935	Class I-like SAM-dependent O-methyltransferase
84	187	Pfam	PF13578	Methyltransferase domain

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 PA1402	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				0.736

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.

54 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
4FE	3CBG	Q55813	194.2 Da LogP 1.50 TPSA 66.8	✓ Ro5	✓ Clean	`COc1ccc(cc1O)\C=C\C(=O)O`
BU3	5LHM	Q50859	90.1 Da LogP -0.25 TPSA 40.5	✓ Ro5	✓ Clean	`C[C@H]([C@@H](C)O)O`
FER	3CBG	Q55813	194.2 Da LogP 1.50 TPSA 66.8	✓ Ro5	✓ Clean	`COc1cc(ccc1O)\C=C\C(=O)O`
LDP	5LOG	Q50859	153.2 Da LogP 0.60 TPSA 66.5	✓ Ro5	Alert	`c1cc(c(cc1CCN)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
ZINC13511212	0.769	342.3 Da LogP 3.38 TPSA 96.2	✓ Ro5	✓ Clean	`COc1cc(/C=C/c2cc(/C=C/C(=O)O)cc(OC)c2O)ccc1O`
ZINC116202	0.758	208.2 Da LogP 1.80 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(/C=C/C(=O)O)cc1OC`
ZINC1857775664	0.758	208.2 Da LogP 1.80 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(C=CC(=O)O)cc1OC`
ZINC6007189	0.758	208.2 Da LogP 1.80 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(/C=C\C(=O)O)cc1OC`
ZINC12358996	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)/C=C\c1ccc(O)c(OC)c1`
ZINC1621053	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)/C=C/c1ccc(O)c(OC)c1`
ZINC17255287	0.743	368.4 Da LogP 3.37 TPSA 93.1	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc…`
ZINC1857743026	0.743	368.4 Da LogP 3.37 TPSA 93.1	✓ Ro5	✓ Clean	`COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O`
ZINC1903846672	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)C=Cc1ccc(O)c(OC)c1`
ZINC2040753044	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)C=Cc1ccc(OC)c(O)c1`
ZINC31261437	0.743	368.4 Da LogP 3.37 TPSA 93.1	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)CC(=O)/C=C\c2ccc(O)c(OC)c2)ccc…`
ZINC31430036	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)/C=C\c1ccc(OC)c(O)c1`
ZINC6018515	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)/C=C/c1ccc(OC)c(O)c1`
ZINC899824	0.743	368.4 Da LogP 3.37 TPSA 93.1	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc…`
ZINC100067274	0.730	368.4 Da LogP 3.85 TPSA 96.2	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)cc…`
ZINC104896565	0.730	368.4 Da LogP 3.85 TPSA 96.2	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)cc…`
ZINC3921797	0.711	254.3 Da LogP 3.30 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(/C=C/C(=O)c2ccccc2)cc1O`
ZINC3921800	0.711	254.3 Da LogP 3.30 TPSA 46.5	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)c2ccccc2)ccc1O`
ZINC185070	0.710	272.3 Da LogP 3.29 TPSA 58.9	✓ Ro5	✓ Clean	`COc1cc(/C=C/c2ccc(O)c(OC)c2)ccc1O`
ZINC2040417310	0.703	208.2 Da LogP 1.89 TPSA 66.8	✓ Ro5	✓ Clean	`CCOc1cc(C=CC(=O)O)ccc1O`
ZINC2168918	0.703	208.2 Da LogP 1.89 TPSA 66.8	✓ Ro5	✓ Clean	`CCOc1cc(/C=C/C(=O)O)ccc1O`
ZINC33956762	0.703	234.3 Da LogP 3.03 TPSA 46.5	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)C(C)(C)C)ccc1O`
ZINC120440	0.694	257.1 Da LogP 2.56 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(/C=C/C(=O)O)cc1Br`
ZINC1911787246	0.694	257.1 Da LogP 2.56 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(C=CC(=O)O)cc1Br`
ZINC2053515671	0.694	212.6 Da LogP 2.45 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(C=CC(=O)O)cc1Cl`
ZINC479915	0.694	212.6 Da LogP 2.45 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(/C=C/C(=O)O)cc1Cl`
ZINC5908418	0.694	212.6 Da LogP 2.45 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(/C=C\C(=O)O)cc1Cl`
ZINC6007078	0.694	257.1 Da LogP 2.56 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(/C=C\C(=O)O)cc1Br`
ZINC84193145	0.694	212.6 Da LogP 2.45 TPSA 46.5	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)O)ccc1Cl`
ZINC88326938	0.694	257.1 Da LogP 2.56 TPSA 46.5	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)O)ccc1Br`
ZINC2053571206	0.686	210.2 Da LogP 1.20 TPSA 87.0	✓ Ro5	Alert	`COc1cc(C=CC(=O)O)cc(O)c1O`
ZINC895821	0.686	210.2 Da LogP 1.20 TPSA 87.0	✓ Ro5	Alert	`COc1cc(/C=C/C(=O)O)cc(O)c1O`
ZINC2356428976	0.684	354.4 Da LogP 3.07 TPSA 104.1	✓ Ro5	Alert	`COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)ccc1O`
ZINC34581303	0.684	234.3 Da LogP 1.96 TPSA 63.6	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)CC(C)=O)ccc1O`
ZINC5543044	0.684	354.4 Da LogP 3.07 TPSA 104.1	✓ Ro5	Alert	`COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O`
ZINC153654	0.676	224.2 Da LogP 1.51 TPSA 76.0	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)O)cc(OC)c1O`
ZINC1903870248	0.676	224.2 Da LogP 1.51 TPSA 76.0	✓ Ro5	✓ Clean	`COc1cc(C=CC(=O)O)cc(OC)c1O`
ZINC6004394	0.676	224.2 Da LogP 1.51 TPSA 76.0	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)O)cc(OC)c1O`
ZINC156089	0.676	236.2 Da LogP 1.72 TPSA 72.8	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)O)ccc1OC(C)=O`
ZINC1857790627	0.676	236.2 Da LogP 1.72 TPSA 72.8	✓ Ro5	✓ Clean	`COc1cc(C=CC(=O)O)ccc1OC(C)=O`
ZINC8612640	0.676	236.2 Da LogP 1.72 TPSA 72.8	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)O)ccc1OC(C)=O`
ZINC238771238	0.675	252.2 Da LogP 1.04 TPSA 93.1	✓ Ro5	✓ Clean	`COc1ccc(/C=C/C(=O)OCC(=O)O)cc1O`
ZINC13351910	0.667	216.1 Da LogP 1.66 TPSA 46.2	✓ Ro5	✓ Clean	`NCCc1ccc(O)c(Br)c1`
ZINC2001304	0.667	236.3 Da LogP 2.37 TPSA 55.8	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)OC(C)C)ccc1O`
ZINC31430198	0.667	338.4 Da LogP 3.36 TPSA 83.8	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)CC(=O)/C=C\c2ccc(O)cc2)ccc1O`
ZINC31430204	0.667	338.4 Da LogP 3.36 TPSA 83.8	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)CC(=O)/C=C/c2ccc(O)cc2)ccc1O`
ZINC4701172	0.667	430.5 Da LogP 4.91 TPSA 93.1	✓ Ro5	✓ Clean	`COc1ccc(/C=C\C(=O)c2cccc(C(=O)/C=C\c3ccc(OC)c(O…`
ZINC5115722	0.667	338.4 Da LogP 3.36 TPSA 83.8	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)ccc1O`
ZINC6897536	0.667	270.3 Da LogP 3.00 TPSA 66.8	✓ Ro5	✓ Clean	`COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1O`
ZINC95933260	0.667	222.2 Da LogP 1.98 TPSA 55.8	✓ Ro5	✓ Clean	`CCOC(=O)/C=C/c1ccc(OC)c(O)c1`

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.