Protein profile

PA2315

hypothetical protein

Genome: NC_002516.2

Gene: PA2315 Structure source: AlphaFold UniProt Q9I1G0

Export view

Amino acids 391

Annotations 1

Features 7

PDB binders 8

Druggability 0.879

Overview

Basic information about this protein and its source genome.

Accession: PA2315
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2315
Status: annotated
Amino acids: 391
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: hit
Human identity (%): 36.765
Human E-value: 8.69e-07
Gut microbiome off-target: hit
Essential (DEG): Y
Localization: CytoplasmicMembrane

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 0.879

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

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.

7 records

Show feature table

Start	End	DB	Term	Name
13	385	SUPERFAMILY	SSF56601	beta-lactamase/transpeptidase-like
13	385	InterPro	IPR012338	Beta-lactamase/transpeptidase-like
16	376	Pfam	PF00144	Beta-lactamase
16	376	InterPro	IPR001466	Beta-lactamase-related
7	387	Gene3D	G3DSA:3.40.710.10	-
7	387	InterPro	IPR012338	Beta-lactamase/transpeptidase-like
13	383	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...

Legend High Medium Low

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 PA2315	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				0.879

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.

58 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
144	6KJD	B6H6L7	122.1 Da LogP -1.72 TPSA 60.7	✓ Ro5	✓ Clean	`C[N+](CO)(CO)CO`
CEF	1CEF	P15555	397.4 Da LogP -0.09 TPSA 156.3	✓ Ro5	✓ Clean	`CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)…`
CEP	1CEG	P15555	398.5 Da LogP 0.54 TPSA 121.8	✓ Ro5	✓ Clean	`COC(=O)CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2ccc…`
DFP	1CI9	Q9KX40	166.2 Da LogP 2.23 TPSA 35.5	✓ Ro5	✓ Clean	`CC(C)OP(=O)OC(C)C`
DIA	3WWX	E2RVJ1	144.3 Da LogP 1.24 TPSA 52.0	✓ Ro5	✓ Clean	`C(CCCCN)CCCN`
LVA	6KJD	B6H6L7	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C…`
MJA	6KJE	B6H6L7	338.4 Da LogP 2.12 TPSA 98.0	✓ Ro5	✓ Clean	`C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)C…`
SIM	6KJF	B6H6L7	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@…`

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
ZINC13824219	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC1685531	1.000	200.4 Da LogP 2.80 TPSA 52.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCN`
ZINC202907532	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[…`
ZINC242722823	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[…`
ZINC242722825	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[…`
ZINC248246262	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)…`
ZINC248246264	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)…`
ZINC248246267	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)…`
ZINC248246269	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)…`
ZINC253534050	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)…`
ZINC26188606	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC34273707	1.000	256.5 Da LogP 4.37 TPSA 52.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCCCCCN`
ZINC38309997	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC38309998	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC38309999	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC3833877	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC4134473	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC5178646	1.000	228.4 Da LogP 3.59 TPSA 52.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCCCN`
ZINC67665175	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC96030136	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[…`
ZINC12496501	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[…`
ZINC19045976	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[…`
ZINC253915831	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC26672491	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC27646890	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC27646898	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC36436646	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[…`
ZINC3798763	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[…`
ZINC3831355	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@@H](…`
ZINC3831356	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@@H](C…`
ZINC3831357	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@@H](C…`
ZINC3831358	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@@H](C)…`
ZINC43772728	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC43772730	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[…`
ZINC98186946	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC2069669004	0.841	436.6 Da LogP 3.80 TPSA 93.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC238766648	0.841	436.6 Da LogP 3.80 TPSA 93.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC65748721	0.841	450.6 Da LogP 4.19 TPSA 93.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC67665418	0.841	450.6 Da LogP 4.19 TPSA 93.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC67665419	0.841	450.6 Da LogP 4.19 TPSA 93.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC67665421	0.841	450.6 Da LogP 4.19 TPSA 93.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC2049382629	0.828	478.7 Da LogP 4.83 TPSA 93.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC2049382630	0.828	478.7 Da LogP 4.83 TPSA 93.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC67665377	0.828	451.6 Da LogP 3.44 TPSA 119.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC67665378	0.828	451.6 Da LogP 3.44 TPSA 119.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC67665379	0.828	451.6 Da LogP 3.44 TPSA 119.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC67665380	0.828	451.6 Da LogP 3.44 TPSA 119.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC44963407	0.758	438.6 Da LogP 2.83 TPSA 124.3	✓ Ro5	✓ Clean	`CCC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC67665319	0.758	438.6 Da LogP 2.83 TPSA 124.3	✓ Ro5	✓ Clean	`CCC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC14806786	0.754	408.5 Da LogP 3.47 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC…`

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.