Protein profile

PA1680

hypothetical protein

Genome: NC_002516.2

Gene: PA1680 Structure source: AlphaFold UniProt Q9I345

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Amino acids 327

Annotations 1

Features 14

PDB binders 4

Druggability 0.624

Overview

Basic information about this protein and its source genome.

Accession: PA1680
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1680
Status: annotated
Amino acids: 327
Structure source: AlphaFold

GO:0052689 Catalysis of the hydrolysis of a carboxylic ester bond.

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 0.624

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MKTSMPRALLALFCLLASLAHAAPNSILHRPYDLDTGHGVLRGSLLLPRSAVPPPVVLLVAGSGPTDRDGNNPFGGNNRYLLRLAEALAERGIASVRYDKRGVARSLAAAPREEDLSVGVYVDDVVAWSERLARDPRFSRLILVGHSEGALIASLAAPRTPAEELIAIAGSGQPIDRVLREQLRGRLPPAQLRQADSVLASLKAGETRGDIPPALANLLRPSVQPYLISLFREDPARAFGRLRIPTLIVQGRNDIQVGVADAEALQRAKPDSQLVLIDGMNHILRIAPSTGLQQLSAYNDPNLPLARQLVEAVSRFILRGAEAEKGR

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

GO:0052689 Catalysis of the hydrolysis of a carboxylic ester bond.

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
1	22	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
1	7	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
23	327	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
8	17	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
1	22	SignalP_EUK	SignalP-noTM	SignalP-noTM
38	312	Gene3D	G3DSA:3.40.50.1820	alpha/beta hydrolase
38	312	InterPro	IPR029058	Alpha/Beta hydrolase fold
18	22	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
29	296	SUPERFAMILY	SSF53474	alpha/beta-Hydrolases
29	296	InterPro	IPR029058	Alpha/Beta hydrolase fold
83	171	Pfam	PF12146	Serine aminopeptidase, S33
83	171	InterPro	IPR022742	Serine aminopeptidase, S33
1	319	PANTHER	PTHR43265	ESTERASE ESTD

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 PA1680	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				0.624
2				0.572

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
DHC	3S2Z	D3YEX6	180.2 Da LogP 1.20 TPSA 77.8	✓ Ro5	Alert	`c1cc(c(cc1\C=C\C(=O)O)O)O`
FER	3PFC	D3YEX6	194.2 Da LogP 1.50 TPSA 66.8	✓ Ro5	✓ Clean	`COc1cc(ccc1O)\C=C\C(=O)O`
NH4	3PFB	D3YEX6	18.0 Da LogP 0.38 TPSA 36.5	✓ Ro5	✓ Clean	`[NH4+]`
ZYC	3PFB	D3YEX6	222.2 Da LogP 1.98 TPSA 55.8	✓ Ro5	✓ Clean	`CCOC(=O)/C=C/c1ccc(c(c1)OC)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
ZINC14488535	1.000	222.2 Da LogP 1.98 TPSA 55.8	✓ Ro5	✓ Clean	`CCOC(=O)/C=C\c1ccc(O)c(OC)c1`
ZINC160496	1.000	222.2 Da LogP 1.98 TPSA 55.8	✓ Ro5	✓ Clean	`CCOC(=O)/C=C/c1ccc(O)c(OC)c1`
ZINC1857524314	1.000	222.2 Da LogP 1.98 TPSA 55.8	✓ Ro5	✓ Clean	`CCOC(=O)C=Cc1ccc(O)c(OC)c1`
ZINC95933260	0.795	222.2 Da LogP 1.98 TPSA 55.8	✓ Ro5	✓ Clean	`CCOC(=O)/C=C/c1ccc(OC)c(O)c1`
ZINC163464	0.789	236.3 Da LogP 2.28 TPSA 44.8	✓ Ro5	✓ Clean	`CCOC(=O)/C=C/c1ccc(OC)c(OC)c1`
ZINC1857776711	0.789	236.3 Da LogP 2.28 TPSA 44.8	✓ Ro5	✓ Clean	`CCOC(=O)C=Cc1ccc(OC)c(OC)c1`
ZINC33378675	0.789	236.3 Da LogP 2.28 TPSA 44.8	✓ Ro5	✓ Clean	`CCOC(=O)/C=C\c1ccc(OC)c(OC)c1`
ZINC3275769	0.775	442.4 Da LogP 2.50 TPSA 128.6	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)OCC(=O)COC(=O)/C=C/c2ccc(O)c(O…`
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`
ZINC5821358	0.762	250.3 Da LogP 2.76 TPSA 55.8	✓ Ro5	✓ Clean	`CCCCOC(=O)/C=C/c1ccc(O)c(OC)c1`
ZINC200514949	0.759	206.2 Da LogP 1.75 TPSA 77.8	✓ Ro5	Alert	`O=C(O)/C=C\C=C/c1ccc(O)c(O)c1`
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`
ZINC1908332	0.756	384.4 Da LogP 2.95 TPSA 102.3	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)COC(=O)/C=C/c2ccc(O)c(OC)c2)cc…`
ZINC2042453263	0.756	356.4 Da LogP 3.38 TPSA 85.2	✓ Ro5	✓ Clean	`COc1cc(C=CCOC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O`
ZINC3259227	0.756	490.5 Da LogP 4.63 TPSA 111.5	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)OCc2ccc(COC(=O)/C=C/c3ccc(O)c(…`
ZINC5999071	0.756	356.4 Da LogP 3.38 TPSA 85.2	✓ Ro5	✓ Clean	`COc1cc(/C=C/COC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O`
ZINC85473528	0.756	356.4 Da LogP 3.38 TPSA 85.2	✓ Ro5	✓ Clean	`COc1cc(/C=C\COC(=O)/C=C\c2ccc(O)c(OC)c2)ccc1O`
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`
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…`
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…`
ZINC12359038	0.737	208.2 Da LogP 1.67 TPSA 66.8	✓ Ro5	Alert	`CCOC(=O)/C=C\c1ccc(O)c(O)c1`
ZINC1614326	0.737	208.2 Da LogP 1.67 TPSA 66.8	✓ Ro5	Alert	`CCOC(=O)/C=C/c1ccc(O)c(O)c1`
ZINC1903857787	0.737	208.2 Da LogP 1.67 TPSA 66.8	✓ Ro5	Alert	`CCOC(=O)C=Cc1ccc(O)c(O)c1`
ZINC1857776162	0.732	250.3 Da LogP 2.67 TPSA 44.8	✓ Ro5	✓ Clean	`CCOC(=O)C=Cc1ccc(OCC)c(OC)c1`
ZINC195787856	0.732	250.3 Da LogP 2.67 TPSA 44.8	✓ Ro5	✓ Clean	`CCOC(=O)/C=C\c1ccc(OCC)c(OC)c1`
ZINC33847800	0.732	250.3 Da LogP 2.67 TPSA 44.8	✓ Ro5	✓ Clean	`CCOC(=O)/C=C/c1ccc(OCC)c(OC)c1`
ZINC58832121	0.732	250.3 Da LogP 2.67 TPSA 44.8	✓ Ro5	✓ Clean	`CCOC(=O)/C=C/c1ccc(OC)c(OCC)c1`
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…`
ZINC2041743729	0.718	252.3 Da LogP 1.99 TPSA 65.0	✓ Ro5	✓ Clean	`CCOC(=O)C=Cc1cc(OC)c(O)c(OC)c1`
ZINC5854402	0.718	252.3 Da LogP 1.99 TPSA 65.0	✓ Ro5	✓ Clean	`CCOC(=O)/C=C/c1cc(OC)c(O)c(OC)c1`
ZINC17147793	0.714	264.3 Da LogP 2.20 TPSA 61.8	✓ Ro5	✓ Clean	`CCOC(=O)/C=C\c1ccc(OC(C)=O)c(OC)c1`
ZINC1747886	0.714	264.3 Da LogP 2.20 TPSA 61.8	✓ Ro5	✓ Clean	`CCOC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1`
ZINC3275808	0.711	335.4 Da LogP 2.60 TPSA 76.1	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)OCC(=O)N(C(C)C)C(C)C)ccc1O`
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`
ZINC3342181	0.705	292.3 Da LogP 2.57 TPSA 72.8	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)OCC(=O)C(C)(C)C)ccc1O`
ZINC5666182	0.705	284.3 Da LogP 3.16 TPSA 55.8	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)OCc2ccccc2)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`
ZINC2504974	0.700	243.1 Da LogP 2.25 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)/C=C/c1ccc(O)c(Br)c1`
ZINC2524651	0.700	290.1 Da LogP 2.09 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)/C=C/c1ccc(O)c(I)c1`
ZINC6418668	0.696	354.4 Da LogP 3.77 TPSA 72.8	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)OCC(=O)c2cc(C)c(C)cc2C)ccc1O`

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.