Protein profile

PA2172

hypothetical protein

Genome: NC_002516.2

Gene: PA2172 Structure source: AlphaFold UniProt Q9I1U3

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Amino acids 358

Annotations 3

Features 11

PDB binders 3

Overview

Basic information about this protein and its source genome.

Accession: PA2172
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2172
Status: annotated
Amino acids: 358
Structure source: AlphaFold

GO:0046872 Binding to a metal ion. GO:0070006 Catalysis of the hydrolysis of a single N-terminal amino acid residue from a polypeptide chain by a mechanism in which water acts as a nucleophile, one or two metal ions hold the water molecule in place, and charged amino acid side chains are ligands for the metal ions. 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: No hit
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Cytoplasmic

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

GO:0046872 Binding to a metal ion.
GO:0070006 Catalysis of the hydrolysis of a single N-terminal amino acid residue from a polypeptide chain by a mechanism in which water acts as a nucleophile, one or two metal ions hold the water molecule in place, and charged amino acid side chains are ligands for the metal ions.
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.

11 records

Show feature table

Start	End	DB	Term	Name
1	356	PANTHER	PTHR32481	AMINOPEPTIDASE
2	357	PIRSF	PIRSF001123	PepA_GA
2	357	InterPro	IPR008007	Peptidase M42
7	352	SUPERFAMILY	SSF53187	Zn-dependent exopeptidases
17	350	CDD	cd05657	M42_glucanase_like
62	343	Pfam	PF05343	M42 glutamyl aminopeptidase
62	343	InterPro	IPR008007	Peptidase M42
78	191	SUPERFAMILY	SSF101821	Aminopeptidase/glucanase lid domain
81	171	Gene3D	G3DSA:2.40.30.40	Peptidase M42, domain 2
81	171	InterPro	IPR023367	Peptidase M42, domain 2
11	347	Gene3D	G3DSA:3.40.630.10	Zn peptidases

3D Structure

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

No pockets are loaded yet for the displayed AlphaFold model PA2172 structure. Run experimental pocket backfill to show FPocket/P2Rank overlays on this 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 PA2172	AlphaFold	—	—	full sequence	—	Viewing

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
ARS	1Y0R	O59196	74.9 Da LogP -0.38 TPSA 0.0	✓ Ro5	✓ Clean	`[As]`
CAC	1VHO	Q9X0D8	137.0 Da LogP -0.52 TPSA 40.1	✓ Ro5	✓ Clean	`C[As](=O)(C)[O-]`
DO3	4X8I	Q8TZW4	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
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`
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`
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`
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(=…`
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`
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`
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`
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`
ZINC22464928	0.563	200.3 Da LogP 0.49 TPSA 43.8	✓ Ro5	✓ Clean	`CC[C@@H](C)N1CCN(CC(=O)O)CC1`
ZINC22464935	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`
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`
ZINC114796544	0.556	317.3 Da LogP -1.45 TPSA 121.6	✓ Ro5	✓ Clean	`O=C(O)CN1CCCN(CC(=O)O)CCN(CC(=O)O)CC1`
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`
ZINC22942356	0.556	432.5 Da LogP -1.67 TPSA 162.2	✓ Ro5	✓ Clean	`O=C(O)CN1CCCN(CC(=O)O)CCN(CC(=O)O)CCCN(CC(=O)O)…`
ZINC42681150	0.545	200.3 Da LogP -0.08 TPSA 43.8	✓ Ro5	✓ Clean	`CC(=O)N1CCCN(C[C@H](C)O)CC1`
ZINC42681151	0.545	200.3 Da LogP -0.08 TPSA 43.8	✓ Ro5	✓ Clean	`CC(=O)N1CCCN(C[C@@H](C)O)CC1`
ZINC70010920	0.541	269.4 Da LogP -0.10 TPSA 55.8	✓ Ro5	✓ Clean	`C[C@H](O)CN1CCN(CC(=O)N[C@@H](C)C2CC2)CC1`
ZINC70010923	0.541	269.4 Da LogP -0.10 TPSA 55.8	✓ Ro5	✓ Clean	`C[C@H](NC(=O)CN1CCN(C[C@@H](C)O)CC1)C1CC1`
ZINC70010926	0.541	269.4 Da LogP -0.10 TPSA 55.8	✓ Ro5	✓ Clean	`C[C@H](O)CN1CCN(CC(=O)N[C@H](C)C2CC2)CC1`
ZINC70010928	0.541	269.4 Da LogP -0.10 TPSA 55.8	✓ Ro5	✓ Clean	`C[C@@H](O)CN1CCN(CC(=O)N[C@H](C)C2CC2)CC1`
ZINC70011031	0.541	283.3 Da LogP -0.34 TPSA 55.8	✓ Ro5	✓ Clean	`C[C@H](O)CN1CCN(CC(=O)NCC(F)(F)F)CC1`
ZINC70011033	0.541	283.3 Da LogP -0.34 TPSA 55.8	✓ Ro5	✓ Clean	`C[C@@H](O)CN1CCN(CC(=O)NCC(F)(F)F)CC1`
ZINC71847295	0.541	241.3 Da LogP -0.71 TPSA 55.8	✓ Ro5	✓ Clean	`C=CCNC(=O)CN1CCN(C[C@H](C)O)CC1`
ZINC71847296	0.541	241.3 Da LogP -0.71 TPSA 55.8	✓ Ro5	✓ Clean	`C=CCNC(=O)CN1CCN(C[C@@H](C)O)CC1`
ZINC49828215	0.531	236.3 Da LogP -0.67 TPSA 60.9	✓ Ro5	✓ Clean	`CCS(=O)(=O)N1CCN(C[C@@H](C)O)CC1`
ZINC49828216	0.531	236.3 Da LogP -0.67 TPSA 60.9	✓ Ro5	✓ Clean	`CCS(=O)(=O)N1CCN(C[C@H](C)O)CC1`
ZINC26893615	0.529	216.3 Da LogP 0.14 TPSA 53.0	✓ Ro5	✓ Clean	`CCOC(=O)N1CCN(C[C@@H](C)O)CC1`
ZINC26893618	0.529	216.3 Da LogP 0.14 TPSA 53.0	✓ Ro5	✓ Clean	`CCOC(=O)N1CCN(C[C@H](C)O)CC1`
ZINC69875878	0.529	232.3 Da LogP -0.13 TPSA 43.8	✓ Ro5	✓ Clean	`CSCC(=O)N1CCN(C[C@H](C)O)CC1`
ZINC69875881	0.529	232.3 Da LogP -0.13 TPSA 43.8	✓ Ro5	✓ Clean	`CSCC(=O)N1CCN(C[C@@H](C)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.