Protein profile

PA4016

hypothetical protein

Genome: NC_002516.2

Gene: PA4016 Structure source: AlphaFold UniProt Q9HX11

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Amino acids 579

Annotations 3

Features 64

PDB binders 0

Druggability 0.552

Overview

Basic information about this protein and its source genome.

Accession: PA4016
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA4016
Status: annotated
Amino acids: 579
Structure source: AlphaFold

GO:0042995 A prolongation or process extending from a cell, e.g. a flagellum or axon. GO:0008233 Catalysis of the hydrolysis of a peptide bond. A peptide bond is a covalent bond formed when the carbon atom from the carboxyl group of one amino acid shares electrons with the nitrogen atom from the amino group of a second amino acid. GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 41.791
Human E-value: 2.93e-08
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 0.552

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:0042995 A prolongation or process extending from a cell, e.g. a flagellum or axon.
GO:0008233 Catalysis of the hydrolysis of a peptide bond. A peptide bond is a covalent bond formed when the carbon atom from the carboxyl group of one amino acid shares electrons with the nitrogen atom from the amino group of a second amino acid.
GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.

Sequence Features

Domain/signature hits from InterPro and related databases.

64 records

Show feature table

Start	End	DB	Term	Name
1	7	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
506	526	Coils	Coil	Coil
20	24	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
109	124	Pfam	PF02493	MORN repeat
109	124	InterPro	IPR003409	MORN repeat
63	85	Pfam	PF02493	MORN repeat
63	85	InterPro	IPR003409	MORN repeat
200	222	Pfam	PF02493	MORN repeat
200	222	InterPro	IPR003409	MORN repeat
224	245	Pfam	PF02493	MORN repeat
224	245	InterPro	IPR003409	MORN repeat
131	153	Pfam	PF02493	MORN repeat
131	153	InterPro	IPR003409	MORN repeat
86	108	Pfam	PF02493	MORN repeat
86	108	InterPro	IPR003409	MORN repeat
154	175	Pfam	PF02493	MORN repeat
154	175	InterPro	IPR003409	MORN repeat
40	60	Pfam	PF02493	MORN repeat
40	60	InterPro	IPR003409	MORN repeat
177	199	Pfam	PF02493	MORN repeat
177	199	InterPro	IPR003409	MORN repeat
269	291	Pfam	PF02493	MORN repeat
269	291	InterPro	IPR003409	MORN repeat
342	547	Pfam	PF01650	Peptidase C13 family
342	547	InterPro	IPR001096	Peptidase C13, legumain
392	530	SUPERFAMILY	SSF52129	Caspase-like
392	530	InterPro	IPR029030	Caspase-like domain superfamily
388	544	Gene3D	G3DSA:3.40.50.1460	-
35	122	SUPERFAMILY	SSF82185	Histone H3 K4-specific methyltransferase SET7/9 N-terminal domain
1	19	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
1	24	Phobius	SIGNAL_PEPTIDE	Signal peptide region
163	197	MobiDBLite	mobidb-lite	consensus disorder prediction
156	205	Gene3D	G3DSA:2.20.110.10	-
253	312	Gene3D	G3DSA:2.20.110.10	-
65	129	Gene3D	G3DSA:2.20.110.10	-
206	252	Gene3D	G3DSA:2.20.110.10	-
127	248	SUPERFAMILY	SSF82185	Histone H3 K4-specific methyltransferase SET7/9 N-terminal domain
166	182	MobiDBLite	mobidb-lite	consensus disorder prediction
198	219	SMART	SM00698	morn
198	219	InterPro	IPR003409	MORN repeat
267	288	SMART	SM00698	morn
267	288	InterPro	IPR003409	MORN repeat
175	196	SMART	SM00698	morn
175	196	InterPro	IPR003409	MORN repeat
152	173	SMART	SM00698	morn
152	173	InterPro	IPR003409	MORN repeat
129	150	SMART	SM00698	morn
129	150	InterPro	IPR003409	MORN repeat
61	82	SMART	SM00698	morn
61	82	InterPro	IPR003409	MORN repeat
38	59	SMART	SM00698	morn
38	59	InterPro	IPR003409	MORN repeat
107	128	SMART	SM00698	morn
107	128	InterPro	IPR003409	MORN repeat
244	265	SMART	SM00698	morn
244	265	InterPro	IPR003409	MORN repeat
84	105	SMART	SM00698	morn
84	105	InterPro	IPR003409	MORN repeat
35	123	PANTHER	PTHR46614	MORN REPEAT-CONTAINING PROTEIN 4
1	21	ProSiteProfiles	PS51257	Prokaryotic membrane lipoprotein lipid attachment site profile.
1	24	SignalP_EUK	SignalP-noTM	SignalP-noTM
8	19	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
25	579	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	19	SignalP_GRAM_NEGATIVE	SignalP-noTM	SignalP-noTM

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 PA4016	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
7				0.552
6				0.524

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.

17 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.

No PDB ligands found through similar proteins.

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
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`
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`
ZINC3593496	0.652	206.2 Da LogP -1.16 TPSA 121.1	✓ Ro5	✓ Clean	`COC(=O)C[C@@](O)(CC(=O)O)C(=O)O`
ZINC3593497	0.652	206.2 Da LogP -1.16 TPSA 121.1	✓ Ro5	✓ Clean	`COC(=O)C[C@](O)(CC(=O)O)C(=O)O`
ZINC14686440	0.625	436.4 Da LogP -2.64 TPSA 247.9	1 viol.	✓ Clean	`O=C(O)C[C@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=O…`
ZINC14686442	0.625	436.4 Da LogP -2.64 TPSA 247.9	1 viol.	✓ Clean	`O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@](O)(CC(=O…`
ZINC14686444	0.625	436.4 Da LogP -2.64 TPSA 247.9	1 viol.	✓ Clean	`O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=…`
ZINC13398039	0.577	234.2 Da LogP -0.38 TPSA 121.1	✓ Ro5	✓ Clean	`CC(C)OC(=O)C[C@](O)(CC(=O)O)C(=O)O`
ZINC2528012	0.577	234.2 Da LogP -0.38 TPSA 121.1	✓ Ro5	✓ Clean	`CC(C)OC(=O)C[C@@](O)(CC(=O)O)C(=O)O`
ZINC146315135	0.560	204.2 Da LogP 0.86 TPSA 94.8	✓ Ro5	✓ Clean	`CCCCC[C@@](O)(CC(=O)O)C(=O)O`
ZINC146315336	0.560	204.2 Da LogP 0.86 TPSA 94.8	✓ Ro5	✓ Clean	`CCCCC[C@](O)(CC(=O)O)C(=O)O`
ZINC1850353	0.556	206.1 Da LogP -0.86 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(O)CC(O)(CC(=O)O)CC(=O)O`
ZINC13398014	0.522	220.2 Da LogP -1.07 TPSA 110.1	✓ Ro5	✓ Clean	`COC(=O)CC(O)(CC(=O)OC)C(=O)O`
ZINC3861629	0.522	206.1 Da LogP -1.16 TPSA 121.1	✓ Ro5	✓ Clean	`COC(=O)C(O)(CC(=O)O)CC(=O)O`
ZINC100969993	0.500	359.5 Da LogP 2.70 TPSA 123.9	✓ Ro5	✓ Clean	`CCCCCCCCCCCCNC(=O)C[C@](O)(CC(=O)O)C(=O)O`
ZINC100969996	0.500	359.5 Da LogP 2.70 TPSA 123.9	✓ Ro5	✓ Clean	`CCCCCCCCCCCCNC(=O)C[C@@](O)(CC(=O)O)C(=O)O`
ZINC1711854	0.500	248.2 Da LogP -0.13 TPSA 149.2	✓ Ro5	✓ Clean	`O=C(O)CC(CC(=O)O)(CC(=O)O)CC(=O)O`

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.