Protein profile

PA4347

hypothetical protein

Genome: NC_002516.2

Gene: PA4347 Structure source: AlphaFold UniProt Q9HW54

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Amino acids 384

Annotations 1

Features 13

PDB binders 3

Druggability 0.754

Overview

Basic information about this protein and its source genome.

Accession: PA4347
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA4347
Status: annotated
Amino acids: 384
Structure source: AlphaFold

GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
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 0.754

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MLGLPLDRREGPPMPALPLSRRALAALALVFALPALAEDWPDTDWPRAQQPAGPALEAFERYAFGRRDDVRRKGIRTDAVVVIRDGRLVYERYAGPSRAETPHLTWSVSKSLLATLLGVAEGEGRFQLDDPVARYYPPFARHPEVTLRHLLNWSSGLDWQEDYEFAPLKSSVVAMLYTRGRDDMAGFVAETPQARPPGRRFRYSSGDSNVLAAALHGMLGADYAEYPWRALFEPLGIRSAVWERDAAGTFVGSSYVYMSARDLARVGLLMQRHGRWRERQLLPLAWVEFNLTPFARYRPSAEEEGEAVPGGQWWLNRAVKGAPAPWPDVAETAFAALGHWGQALYVLPEEKLVIVRYADDRDGRFRHNEFLRLAQAAFAGEARP

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 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.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records

Show feature table

Start	End	DB	Term	Name
1	22	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
1	37	Phobius	SIGNAL_PEPTIDE	Signal peptide region
38	384	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
23	373	SUPERFAMILY	SSF56601	beta-lactamase/transpeptidase-like
23	373	InterPro	IPR012338	Beta-lactamase/transpeptidase-like
62	372	Gene3D	G3DSA:3.40.710.10	-
62	372	InterPro	IPR012338	Beta-lactamase/transpeptidase-like
1	37	SignalP_EUK	SignalP-noTM	SignalP-noTM
71	363	Pfam	PF00144	Beta-lactamase
71	363	InterPro	IPR001466	Beta-lactamase-related
34	37	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
23	33	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
50	376	PANTHER	PTHR43283	BETA-LACTAMASE-RELATED

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 PA4347	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
3				0.754

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.

53 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
ACA	2ZM7	P07061	131.2 Da LogP 0.59 TPSA 63.3	✓ Ro5	✓ Clean	`C(CCC(=O)O)CCN`
DIA	3WWX	E2RVJ1	144.3 Da LogP 1.24 TPSA 52.0	✓ Ro5	✓ Clean	`C(CCCCN)CCCN`
DO3	2QMI	Q9V2D6	404.5 Da LogP -2.16 TPSA 145.1	✓ Ro5	✓ Clean	`C[C@H](CN1CC[N@](CCN(CC[N@](CC1)CC(=O)O)CC(=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
ZINC1685531	1.000	200.4 Da LogP 2.80 TPSA 52.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCN`
ZINC22016976	1.000	404.5 Da LogP -2.16 TPSA 145.1	✓ Ro5	✓ Clean	`C[C@@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)…`
ZINC22016981	1.000	404.5 Da LogP -2.16 TPSA 145.1	✓ Ro5	✓ Clean	`C[C@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O…`
ZINC19795335	0.741	200.3 Da LogP 0.34 TPSA 43.8	✓ Ro5	✓ Clean	`CC(C)CN1CCN(CC(=O)O)CC1`
ZINC1529497	0.706	230.3 Da LogP 3.06 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCC(=O)O`
ZINC1531045	0.706	202.2 Da LogP 2.28 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCC(=O)O`
ZINC1593115	0.706	216.3 Da LogP 2.67 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCC(=O)O`
ZINC1700020	0.706	244.3 Da LogP 3.45 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCC(=O)O`
ZINC3860440	0.706	258.4 Da LogP 3.84 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCC(=O)O`
ZINC3861298	0.706	286.4 Da LogP 4.62 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCCCC(=O)O`
ZINC5113062	0.706	272.4 Da LogP 4.23 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCCC(=O)O`
ZINC19364558	0.667	202.3 Da LogP -0.63 TPSA 46.9	✓ Ro5	✓ Clean	`C[C@@H](O)CN1CCN(C[C@@H](C)O)CC1`
ZINC19364560	0.667	202.3 Da LogP -0.63 TPSA 46.9	✓ Ro5	✓ Clean	`C[C@H](O)CN1CCN(C[C@H](C)O)CC1`
ZINC23477159	0.667	202.3 Da LogP -0.63 TPSA 46.9	✓ Ro5	✓ Clean	`C[C@H](O)CN1CCN(C[C@@H](C)O)CC1`
ZINC13526937	0.654	357.5 Da LogP 1.94 TPSA 121.5	✓ Ro5	✓ Clean	`NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O`
ZINC13433578	0.650	201.3 Da LogP 1.68 TPSA 80.4	✓ Ro5	✓ Clean	`NC(=O)CCCCCCCCC(=O)O`
ZINC19365651	0.625	303.3 Da LogP -1.84 TPSA 121.6	✓ Ro5	✓ Clean	`O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1`
ZINC19366645	0.625	202.2 Da LogP -1.23 TPSA 81.1	✓ Ro5	✓ Clean	`O=C(O)CN1CCN(CC(=O)O)CC1`
ZINC22059268	0.625	404.4 Da LogP -2.45 TPSA 162.2	✓ Ro5	✓ Clean	`O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1`
ZINC37895156	0.621	208.2 Da LogP -0.05 TPSA 43.8	✓ Ro5	✓ Clean	`O=C(O)CN1CCN(CC(F)F)CC1`
ZINC1545440	0.615	213.4 Da LogP 4.65 TPSA 26.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCN`
ZINC38585283	0.615	203.4 Da LogP 3.39 TPSA 26.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCS`
ZINC67821583	0.613	232.3 Da LogP -0.69 TPSA 62.2	✓ Ro5	✓ Clean	`COC(CN1CCN(CC(=O)O)CC1)OC`
ZINC85436913	0.606	283.4 Da LogP 0.39 TPSA 47.0	✓ Ro5	✓ Clean	`C[C@H](O)CN1CCN(CC(=O)N2CCCCCC2)CC1`
ZINC85436914	0.606	283.4 Da LogP 0.39 TPSA 47.0	✓ Ro5	✓ Clean	`C[C@@H](O)CN1CCN(CC(=O)N2CCCCCC2)CC1`
ZINC26897400	0.600	286.4 Da LogP 3.41 TPSA 91.7	✓ Ro5	✓ Clean	`O=C(O)CCCCCCC(=O)CCCCCCC(=O)O`
ZINC3074813	0.600	258.3 Da LogP 2.63 TPSA 91.7	✓ Ro5	✓ Clean	`O=C(O)CCCCCC(=O)CCCCCC(=O)O`
ZINC34423725	0.600	342.5 Da LogP 4.97 TPSA 91.7	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCC(=O)CCCCCCCCC(=O)O`
ZINC4822898	0.600	272.3 Da LogP 3.02 TPSA 91.7	✓ Ro5	✓ Clean	`O=C(O)CCCCCCC(=O)CCCCCC(=O)O`
ZINC4822900	0.600	300.4 Da LogP 3.80 TPSA 91.7	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCC(=O)CCCCCC(=O)O`
ZINC40470158	0.593	216.3 Da LogP 0.49 TPSA 92.4	✓ Ro5	✓ Clean	`NCCCC(=O)NCCCCCC(=O)O`
ZINC14510370	0.571	244.4 Da LogP 3.74 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCCO`
ZINC1531061	0.571	216.3 Da LogP 2.96 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCO`
ZINC1610426	0.571	230.3 Da LogP 3.35 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCO`
ZINC2168567	0.571	202.3 Da LogP 2.57 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCO`
ZINC3074815	0.571	230.3 Da LogP 1.85 TPSA 91.7	✓ Ro5	✓ Clean	`O=C(O)CCCCCC(=O)CCCC(=O)O`
ZINC3861297	0.571	272.4 Da LogP 4.52 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCCCCO`
ZINC4284502	0.571	258.4 Da LogP 4.13 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCCCO`
ZINC5287109	0.571	286.5 Da LogP 4.91 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCCCCCO`
ZINC261570401	0.568	230.3 Da LogP -0.15 TPSA 64.0	✓ Ro5	✓ Clean	`CC[C@@H]1CN(CC(=O)O)CCN1C[C@@H](C)O`
ZINC261570402	0.568	230.3 Da LogP -0.15 TPSA 64.0	✓ Ro5	✓ Clean	`CC[C@H]1CN(CC(=O)O)CCN1C[C@H](C)O`
ZINC261570403	0.568	230.3 Da LogP -0.15 TPSA 64.0	✓ Ro5	✓ Clean	`CC[C@@H]1CN(CC(=O)O)CCN1C[C@H](C)O`
ZINC261570404	0.568	230.3 Da LogP -0.15 TPSA 64.0	✓ Ro5	✓ Clean	`CC[C@H]1CN(CC(=O)O)CCN1C[C@@H](C)O`
ZINC2151107	0.565	231.3 Da LogP 1.60 TPSA 100.6	✓ Ro5	✓ Clean	`NC(CCCCC(=O)O)CCCCC(=O)O`
ZINC2839271	0.565	245.3 Da LogP 1.99 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCCC(=O)O)CCCCC(=O)O`
ZINC2839272	0.565	245.3 Da LogP 1.99 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@H](CCCCCC(=O)O)CCCCC(=O)O`
ZINC4956318	0.565	273.4 Da LogP 2.77 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCCCCC(=O)O)CCCCC(=O)O`
ZINC4956319	0.565	273.4 Da LogP 2.77 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@H](CCCCCCCC(=O)O)CCCCC(=O)O`
ZINC22464928	0.563	200.3 Da LogP 0.49 TPSA 43.8	✓ Ro5	✓ Clean	`CC[C@@H](C)N1CCN(CC(=O)O)CC1`
ZINC35126922	0.563	243.3 Da LogP -0.79 TPSA 72.9	✓ Ro5	✓ Clean	`CC(C)NC(=O)CN1CCN(CC(=O)O)CC1`

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.