Protein profile

PA3535

serine protease

Genome: NC_002516.2

Gene: PA3535 Structure source: AlphaFold UniProt Q9HY75

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Amino acids 995

Annotations 4

Features 44

PDB binders 7

Druggability 0.6

Overview

Basic information about this protein and its source genome.

Accession: PA3535
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA3535
Status: annotated
Amino acids: 995
Structure source: AlphaFold

GO:0019867 The external membrane of Gram-negative bacteria or certain organelles such as mitochondria and chloroplasts; freely permeable to most ions and metabolites. GO:0004252 Catalysis of the hydrolysis of internal, alpha-peptide bonds in a polypeptide chain by a catalytic mechanism that involves a catalytic triad consisting of a serine nucleophile that is activated by a proton relay involving an acidic residue (e.g. aspartate or glutamate) and a basic residue (usually histidine). GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds. GO:0008236 Catalysis of the hydrolysis of peptide bonds in a polypeptide chain by a catalytic mechanism that involves a catalytic triad consisting of a serine nucleophile that is activated by a proton relay involving an acidic residue (e.g. aspartate or glutamate) and a basic residue (usually histidine).

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): N
Localization: OuterMembrane

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 0.6

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

GO:0019867 The external membrane of Gram-negative bacteria or certain organelles such as mitochondria and chloroplasts; freely permeable to most ions and metabolites.
GO:0004252 Catalysis of the hydrolysis of internal, alpha-peptide bonds in a polypeptide chain by a catalytic mechanism that involves a catalytic triad consisting of a serine nucleophile that is activated by a proton relay involving an acidic residue (e.g. aspartate or glutamate) and a basic residue (usually histidine).
GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.
GO:0008236 Catalysis of the hydrolysis of peptide bonds in a polypeptide chain by a catalytic mechanism that involves a catalytic triad consisting of a serine nucleophile that is activated by a proton relay involving an acidic residue (e.g. aspartate or glutamate) and a basic residue (usually histidine).

Sequence Features

Domain/signature hits from InterPro and related databases.

44 records

Show feature table

Start	End	DB	Term	Name
49	369	SUPERFAMILY	SSF52743	Subtilisin-like
49	369	InterPro	IPR036852	Peptidase S8/S53 domain superfamily
69	342	CDD	cd04848	Peptidases_S8_Autotransporter_serine_protease_like
69	342	InterPro	IPR034061	Autotransporter serine protease peptidase domain
719	985	SMART	SM00869	Autotransporter_2
719	985	InterPro	IPR005546	Autotransporter beta-domain
1	13	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
681	995	SUPERFAMILY	SSF103515	Autotransporter
681	995	InterPro	IPR036709	Autotransporter beta-domain superfamily
31	369	Gene3D	G3DSA:3.40.50.200	Peptidase S8/S53 domain
31	369	InterPro	IPR036852	Peptidase S8/S53 domain superfamily
715	995	ProSiteProfiles	PS51208	Autotransporter beta-domain profile.
715	995	InterPro	IPR005546	Autotransporter beta-domain
1	30	Phobius	SIGNAL_PEPTIDE	Signal peptide region
52	367	ProSiteProfiles	PS51892	Serine proteases, subtilase domain profile.
31	995	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
521	995	NCBIfam	TIGR01414	outer membrane autotransporter barrel domain
521	995	InterPro	IPR006315	Outer membrane autotransporter barrel domain
70	359	Pfam	PF00082	Subtilase family
70	359	InterPro	IPR000209	Peptidase S8/S53 domain
1	30	SignalP_EUK	SignalP-noTM	SignalP-noTM
122	132	ProSitePatterns	PS00137	Serine proteases, subtilase family, histidine active site.
122	132	InterPro	IPR022398	Peptidase S8, subtilisin, His-active site
306	316	ProSitePatterns	PS00138	Serine proteases, subtilase family, serine active site.
306	316	InterPro	IPR023828	Peptidase S8, subtilisin, Ser-active site
673	995	Gene3D	G3DSA:2.40.128.130	-
673	995	InterPro	IPR036709	Autotransporter beta-domain superfamily
37	778	PANTHER	PTHR43399	SUBTILISIN-RELATED
409	432	MobiDBLite	mobidb-lite	consensus disorder prediction
723	975	Pfam	PF03797	Autotransporter beta-domain
723	975	InterPro	IPR005546	Autotransporter beta-domain
14	25	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
455	485	NCBIfam	TIGR02601	autotransporter-associated beta strand repeat
455	485	InterPro	IPR013425	Autotransporter-associated beta strand repeat
1	30	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
26	30	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
118	131	PRINTS	PR00723	Subtilisin serine protease family (S8) signature
118	131	InterPro	IPR015500	Peptidase S8, subtilisin-related
305	321	PRINTS	PR00723	Subtilisin serine protease family (S8) signature
305	321	InterPro	IPR015500	Peptidase S8, subtilisin-related
70	89	PRINTS	PR00723	Subtilisin serine protease family (S8) signature
70	89	InterPro	IPR015500	Peptidase S8, subtilisin-related
456	485	Pfam	PF12951	Passenger-associated-transport-repeat
456	485	InterPro	IPR013425	Autotransporter-associated beta strand repeat

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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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 PA3535	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
18				0.6
3				0.355
22				0.26
1				0.213

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.

57 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
15P	1TMG	P00782	1529.8 Da LogP 0.17 TPSA 334.1	2 viol.	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO…`
1BH	1BH6	P00781	467.6 Da LogP 2.40 TPSA 108.0	✓ Ro5	✓ Clean	`C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)[…`
AZI	3BGO	P00782	42.0 Da LogP 0.87 TPSA 58.7	✓ Ro5	Alert	`[N-]=[N+]=[N-]`
CXE	1UYN	E6MVD9	378.6 Da LogP 3.20 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCCOCCOCCOCCOCCOCCO`
DFP	1DUI	P00782	166.2 Da LogP 2.23 TPSA 35.5	✓ Ro5	✓ Clean	`CC(C)OP(=O)OC(C)C`
EI3	5ARB	P29600	184.2 Da LogP 2.76 TPSA 25.8	✓ Ro5	✓ Clean	`Cc1ccc(nc1)c2ccc(cn2)C`
PMS	1SUP	P00782	172.2 Da LogP 1.07 TPSA 54.4	✓ Ro5	✓ Clean	`c1ccc(cc1)CS(=O)(=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
ZINC100014200	1.000	494.7 Da LogP 4.02 TPSA 84.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC100070166	1.000	290.4 Da LogP 3.17 TPSA 47.9	✓ Ro5	✓ Clean	`CCCCCCCCCCOCCOCCOCCO`
ZINC100310628	1.000	478.7 Da LogP 4.78 TPSA 75.6	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO`
ZINC100365196	1.000	302.5 Da LogP 4.71 TPSA 38.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCOCCOCCO`
ZINC101772322	1.000	434.7 Da LogP 4.76 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCOCCOCCOCCOCCOCCO`
ZINC103600921	1.000	466.7 Da LogP 3.24 TPSA 84.8	✓ Ro5	✓ Clean	`CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC14880431	1.000	378.6 Da LogP 3.20 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCCOCCOCCOCCOCCOCCO`
ZINC14881140	1.000	306.4 Da LogP 2.41 TPSA 57.2	✓ Ro5	✓ Clean	`CCCCCCCCOCCOCCOCCOCCO`
ZINC16051619	1.000	350.5 Da LogP 2.42 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCOCCOCCOCCOCCOCCO`
ZINC2584424	1.000	218.3 Da LogP 2.37 TPSA 38.7	✓ Ro5	✓ Clean	`CCCCCCCCOCCOCCO`
ZINC4521877	1.000	234.3 Da LogP 1.61 TPSA 47.9	✓ Ro5	✓ Clean	`CCCCCCOCCOCCOCCO`
ZINC5273610	1.000	322.4 Da LogP 1.64 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCOCCOCCOCCOCCOCCO`
ZINC58538366	1.000	392.6 Da LogP 3.59 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCOCCOCCOCCOCCOCCO`
ZINC58631420	1.000	422.6 Da LogP 3.22 TPSA 75.6	✓ Ro5	✓ Clean	`CCCCCCCCCCOCCOCCOCCOCCOCCOCCO`
ZINC59441819	1.000	318.5 Da LogP 3.95 TPSA 47.9	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCCOCCOCCO`
ZINC59622400	1.000	274.4 Da LogP 3.93 TPSA 38.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCCOCCO`
ZINC71788551	1.000	334.5 Da LogP 3.19 TPSA 57.2	✓ Ro5	✓ Clean	`CCCCCCCCCCOCCOCCOCCOCCO`
ZINC71788564	1.000	262.4 Da LogP 2.39 TPSA 47.9	✓ Ro5	✓ Clean	`CCCCCCCCOCCOCCOCCO`
ZINC71788567	1.000	406.6 Da LogP 3.98 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCCOCCOCCOCCOCCO`
ZINC8214594	1.000	362.6 Da LogP 3.97 TPSA 57.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCCOCCOCCOCCO`
ZINC88260008	1.000	390.6 Da LogP 4.75 TPSA 57.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCOCCOCCOCCOCCO`
ZINC95784968	1.000	450.7 Da LogP 4.00 TPSA 75.6	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO`
ZINC95863931	1.000	464.7 Da LogP 4.39 TPSA 75.6	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO`
ZINC1849711	0.950	202.3 Da LogP 3.14 TPSA 29.5	✓ Ro5	✓ Clean	`CCCCCCCCCCOCCO`
ZINC1850542	0.950	216.4 Da LogP 3.53 TPSA 29.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCOCCO`
ZINC2555269	0.950	220.3 Da LogP 1.22 TPSA 47.9	✓ Ro5	✓ Clean	`CCCCCOCCOCCOCCO`
ZINC59660505	0.950	244.4 Da LogP 4.31 TPSA 29.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCOCCO`
ZINC8437287	0.950	230.4 Da LogP 3.92 TPSA 29.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCCO`
ZINC85733754	0.950	258.4 Da LogP 4.70 TPSA 29.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCOCCO`
ZINC1644613	0.810	206.3 Da LogP 0.83 TPSA 47.9	✓ Ro5	✓ Clean	`CCCCOCCOCCOCCO`
ZINC59545536	0.773	258.4 Da LogP 4.70 TPSA 29.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCOCCCO`
ZINC95831576	0.773	230.4 Da LogP 3.92 TPSA 29.5	✓ Ro5	✓ Clean	`CCCCCCCCCCOCCCCO`
ZINC1764974	0.750	266.3 Da LogP 0.46 TPSA 108.7	✓ Ro5	✓ Clean	`O=S(=O)(O)Cc1ccc(CS(=O)(=O)O)cc1`
ZINC1575977	0.737	320.3 Da LogP 1.38 TPSA 95.9	✓ Ro5	✓ Clean	`C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O`
ZINC1575978	0.737	320.3 Da LogP 1.38 TPSA 95.9	✓ Ro5	✓ Clean	`C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O`
ZINC1575979	0.737	320.3 Da LogP 1.38 TPSA 95.9	✓ Ro5	✓ Clean	`C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC1575980	0.737	320.3 Da LogP 1.38 TPSA 95.9	✓ Ro5	✓ Clean	`C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC15721270	0.734	483.5 Da LogP 1.81 TPSA 145.3	✓ Ro5	✓ Clean	`C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[…`
ZINC45028430	0.727	249.1 Da LogP 3.21 TPSA 25.8	✓ Ro5	✓ Clean	`Cc1ccc(-c2ccc(Br)cn2)nc1`
ZINC4899817	0.721	377.4 Da LogP 0.49 TPSA 125.0	✓ Ro5	✓ Clean	`C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC…`
ZINC15722023	0.714	433.5 Da LogP 1.91 TPSA 125.0	✓ Ro5	✓ Clean	`CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=…`
ZINC389634	0.714	246.3 Da LogP 2.80 TPSA 34.1	✓ Ro5	✓ Clean	`O=S(=O)(Cc1ccccc1)Cc1ccccc1`
ZINC19891860	0.710	467.5 Da LogP 2.15 TPSA 114.0	✓ Ro5	✓ Clean	`C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC…`
ZINC1532902	0.700	206.2 Da LogP -0.86 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O`
ZINC1627284	0.700	214.4 Da LogP 4.94 TPSA 9.2	✓ Ro5	✓ Clean	`CCCCCCCOCCCCCCC`
ZINC2018106	0.700	206.2 Da LogP -0.86 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(O)CC[C@](O)(CC(=O)O)C(=O)O`
ZINC2564179	0.700	214.4 Da LogP 4.94 TPSA 9.2	✓ Ro5	✓ Clean	`CCCCCCCCOCCCCCC`
ZINC4530388	0.688	266.3 Da LogP 0.35 TPSA 55.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOC`
ZINC5701172	0.688	310.4 Da LogP 0.36 TPSA 64.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOC`
ZINC5997861	0.688	398.5 Da LogP 0.40 TPSA 83.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOC`

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.