Protein profile

PA1726

beta-glucosidase

Genome: NC_002516.2

Gene: PA1726 bglX Structure source: Experimental + AlphaFold UniProt Q9I311

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Amino acids 764

Annotations 7

Features 41

PDB binders 6

Druggability 0.515

Overview

Basic information about this protein and its source genome.

Accession: PA1726
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1726 bglX
Status: annotated
Amino acids: 764
Structure source: Experimental + AlphaFold

3.2.1.21

GO:0042597 The region between the inner (cytoplasmic) and outer membrane (Gram-negative Bacteria) or cytoplasmic membrane and cell wall (Fungi and Gram-positive Bacteria). GO:0008422 Catalysis of the hydrolysis of terminal, non-reducing beta-D-glucose residues with release of beta-D-glucose. GO:0046872 Binding to a metal ion. GO:0009251 The chemical reactions and pathways resulting in the breakdown of glucans, polysaccharides consisting only of glucose residues. GO:0004553 Catalysis of the hydrolysis of any O-glycosyl bond. GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.

Target profile

Computed evidence for target prioritization.

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

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 0.515

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Enzyme Commission (EC)

3.2.1.21

Gene Ontology (GO)

GO:0042597 The region between the inner (cytoplasmic) and outer membrane (Gram-negative Bacteria) or cytoplasmic membrane and cell wall (Fungi and Gram-positive Bacteria).
GO:0008422 Catalysis of the hydrolysis of terminal, non-reducing beta-D-glucose residues with release of beta-D-glucose.
GO:0046872 Binding to a metal ion.
GO:0009251 The chemical reactions and pathways resulting in the breakdown of glucans, polysaccharides consisting only of glucose residues.
GO:0004553 Catalysis of the hydrolysis of any O-glycosyl bond.
GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.

Sequence Features

Domain/signature hits from InterPro and related databases.

41 records

Show feature table

Start	End	DB	Term	Name
1	20	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
684	753	SMART	SM01217	Fn3_like_2
684	753	InterPro	IPR026891	Fibronectin type III-like domain
21	764	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
16	20	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
119	138	PRINTS	PR00133	Glycosyl hydrolase family 3 signature
119	138	InterPro	IPR001764	Glycoside hydrolase, family 3, N-terminal
202	218	PRINTS	PR00133	Glycosyl hydrolase family 3 signature
202	218	InterPro	IPR001764	Glycoside hydrolase, family 3, N-terminal
165	181	PRINTS	PR00133	Glycosyl hydrolase family 3 signature
165	181	InterPro	IPR001764	Glycoside hydrolase, family 3, N-terminal
272	290	PRINTS	PR00133	Glycosyl hydrolase family 3 signature
272	290	InterPro	IPR001764	Glycoside hydrolase, family 3, N-terminal
100	116	PRINTS	PR00133	Glycosyl hydrolase family 3 signature
100	116	InterPro	IPR001764	Glycoside hydrolase, family 3, N-terminal
1	20	SignalP_GRAM_NEGATIVE	SignalP-noTM	SignalP-noTM
34	647	PANTHER	PTHR30620	PERIPLASMIC BETA-GLUCOSIDASE-RELATED
394	650	SUPERFAMILY	SSF52279	Beta-D-glucan exohydrolase, C-terminal domain
394	650	InterPro	IPR036881	Glycoside hydrolase family 3 C-terminal domain superfamily
380	647	FunFam	G3DSA:3.40.50.1700:FF:000004	Periplasmic beta-glucosidase
685	753	Pfam	PF14310	Fibronectin type III-like domain
685	753	InterPro	IPR026891	Fibronectin type III-like domain
49	349	Pfam	PF00933	Glycosyl hydrolase family 3 N terminal domain
49	349	InterPro	IPR001764	Glycoside hydrolase, family 3, N-terminal
272	289	ProSitePatterns	PS00775	Glycosyl hydrolases family 3 active site.
272	289	InterPro	IPR019800	Glycoside hydrolase, family 3, active site
1	3	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
30	368	Gene3D	G3DSA:3.20.20.300	-
30	368	InterPro	IPR036962	Glycoside hydrolase, family 3, N-terminal domain superfamily
649	764	FunFam	G3DSA:2.60.40.10:FF:000495	Periplasmic beta-glucosidase
394	647	Pfam	PF01915	Glycosyl hydrolase family 3 C-terminal domain
394	647	InterPro	IPR002772	Glycoside hydrolase family 3 C-terminal domain
30	370	FunFam	G3DSA:3.20.20.300:FF:000005	Periplasmic beta-glucosidase
32	392	SUPERFAMILY	SSF51445	(Trans)glycosidases
32	392	InterPro	IPR017853	Glycoside hydrolase superfamily
380	647	Gene3D	G3DSA:3.40.50.1700	-
380	647	InterPro	IPR036881	Glycoside hydrolase family 3 C-terminal domain superfamily
1	20	Phobius	SIGNAL_PEPTIDE	Signal peptide region
4	15	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
648	763	Gene3D	G3DSA:2.60.40.10	Immunoglobulins
648	763	InterPro	IPR013783	Immunoglobulin-like fold

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

8 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
PDB 6R5P	X-ray	2.85 Å	A,B	97.4% 21-764	PDBe RCSB PDBj File	Viewing
PDB 6R5R	X-ray	1.65 Å	A	96.1% 31-764	PDBe RCSB PDBj File	Loaded
PDB 6R5T	X-ray	1.60 Å	A,B	95.9% 32-764	PDBe RCSB PDBj File	Loaded
PDB 6R5I	X-ray	1.80 Å	A,B	95.9% 32-764	PDBe RCSB PDBj File	Loaded
PDB 6R5V	X-ray	1.80 Å	A,B	95.9% 32-764	PDBe RCSB PDBj File	Loaded
PDB 6R5N	X-ray	2.00 Å	A,B	95.9% 32-764	PDBe RCSB PDBj File	Loaded
PDB 6R5U	X-ray	2.15 Å	A,B	95.9% 32-764	PDBe RCSB PDBj File	Loaded
PDB 6R5O	X-ray	2.40 Å	A,B	95.9% 32-764	PDBe RCSB PDBj File	Loaded
AlphaFold PA1726	AlphaFold	—	—	full sequence	—	Loaded

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
2				0.384
1				0.368

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.

Ligand	Source crystal	MW · LogP · TPSA	Lipinski	PAINS	SMILES
NOJ	6R5N 2.00 Å Open crystal	163.2 Da LogP -2.97 TPSA 93.0	✓ Ro5	✓ Clean	`C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O`

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
6BV	6LC5	Q9XEI3	358.4 Da LogP -4.68 TPSA 180.3	2 viol.	✓ Clean	`C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)S[C@H…`
DTT	5Z87	A0A0H0XV02	154.3 Da LogP -0.43 TPSA 40.5	✓ Ro5	✓ Clean	`C([C@@H]([C@H](CS)O)O)S`
LAM	6JGN	Q9XEI3	641.6 Da LogP -4.86 TPSA 291.6	3 viol.	✓ Clean	`c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O[C@H]…`
OAN	3NVD	P40406	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)…`
P4G	3BMX	P40406	162.2 Da LogP 1.08 TPSA 27.7	✓ Ro5	✓ Clean	`CCOCCOCCOCC`

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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
IFM	P27034	8.15	147.2 Da LogP -2.08 TPSA 72.7	✓ Ro5	✓ Clean	`C1[C@@H]([C@H]([C@@H](CN1)O)O)CO`

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
ZINC100071913	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@H](CO)[…`
ZINC110339007	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@H](CO)[…`
ZINC110343895	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1/C(=N\OC(=O)Nc2ccccc2)O[C@H](CO)[…`
ZINC22046559	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1/C(=N\OC(=O)Nc2ccccc2)O[C@H](CO)[…`
ZINC22046563	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1/C(=N\OC(=O)Nc2ccccc2)O[C@H](CO)[…`
ZINC22046568	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@@H](CO)…`
ZINC22046573	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@@H](CO)…`
ZINC230164453	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@H](CO)[…`
ZINC255993849	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1C(=NOC(=O)Nc2ccccc2)O[C@H](CO)[C@…`
ZINC255993850	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1C(=NOC(=O)Nc2ccccc2)O[C@H](CO)[C@…`
ZINC255993851	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1C(=NOC(=O)Nc2ccccc2)O[C@H](CO)[C@…`
ZINC255993852	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1C(=NOC(=O)Nc2ccccc2)O[C@H](CO)[C@…`
ZINC38599450	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@H](CO)[C…`
ZINC44154746	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@@H](CO)[…`
ZINC44154749	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@H](CO)[C…`
ZINC575229162	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1/C(=N\OC(=O)Nc2ccccc2)O[C@H](CO)[…`
ZINC5859031	1.000	294.4 Da LogP 1.13 TPSA 55.4	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCOCCOCC`
ZINC77292968	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@@H](CO)…`
ZINC77292971	1.000	353.3 Da LogP -0.83 TPSA 149.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@H](CO)[…`
ZINC4974293	0.786	280.4 Da LogP 1.08 TPSA 55.4	✓ Ro5	✓ Clean	`CCOCCOCCOCOCCOCCOCC`
ZINC22065001	0.782	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@…`
ZINC77311812	0.782	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@…`
ZINC77311821	0.782	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C…`
ZINC299888362	0.740	312.3 Da LogP -0.98 TPSA 140.8	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1)ON=C1O[C@H](CO)[C@@H](O)[C@H](O)[…`
ZINC514277674	0.722	352.3 Da LogP 0.26 TPSA 137.7	✓ Ro5	✓ Clean	`CC(=O)C[C@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@H](CO)[C…`
ZINC13531965	0.714	358.4 Da LogP -4.68 TPSA 180.3	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H]…`
ZINC248005832	0.714	358.4 Da LogP -4.68 TPSA 180.3	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H]…`
ZINC248005837	0.714	358.4 Da LogP -4.68 TPSA 180.3	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H]…`
ZINC248005841	0.714	358.4 Da LogP -4.68 TPSA 180.3	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H]…`
ZINC26184038	0.714	358.4 Da LogP -4.68 TPSA 180.3	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](S[C@H]2O[C@H](CO)[C@H](O)[C@H](…`
ZINC5273968	0.714	358.4 Da LogP -4.68 TPSA 180.3	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H]…`
ZINC1857777631	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O[C@@H…`
ZINC1857777632	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O[C@@H…`
ZINC1857777633	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O[C@@H…`
ZINC1857777634	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O[C@@H…`
ZINC1857789176	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O[C@@…`
ZINC1857789177	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O[C@H…`
ZINC1911531502	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O[C@H…`
ZINC238809660	0.690	949.8 Da LogP -9.93 TPSA 459.1	3 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@…`
ZINC238809661	0.690	949.8 Da LogP -9.93 TPSA 459.1	3 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@…`
ZINC253497560	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O[C@@…`
ZINC253497561	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O[C@@…`
ZINC253497562	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O[C@@…`
ZINC253497563	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O[C@@…`
ZINC27647331	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@…`
ZINC4282193	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O[C@H…`
ZINC44021709	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@…`
ZINC76945115	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O[C@@…`
ZINC85603684	0.690	463.4 Da LogP -3.40 TPSA 221.7	2 viol.	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@…`
ZINC5650743	0.688	222.3 Da LogP 0.07 TPSA 57.2	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCO`

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.