Protein profile

KP13_03192

Periplasmic beta-glucosidase

Genome: KpKP13

Gene: bglX AHE43595.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GQV7

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Amino acids 755

Annotations 6

Features 34

PDB binders 4

Druggability 0.535

Overview

Basic information about this protein and its source genome.

Accession: KP13_03192
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: bglX AHE43595.1
Status: annotated
Amino acids: 755
Structure source: AlphaFold + ColabFold

3.2.1.21

GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y. GO:0004553 Catalysis of the hydrolysis of any O-glycosyl bond. 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:0009251 The chemical reactions and pathways resulting in the breakdown of glucans, polysaccharides consisting only of glucose residues.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: Periplasmic
ColabFold pLDDT: 97.12

Selected Druggability evidence

AlphaFold / UniProt model

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 0.535

Structure A0A0H3GQV7

Pocket Pocket 2

P2Rank 0.677

Structure A0A0H3GQV7

Pocket Pocket 1

ColabFold model

FPocket 0.422 · Pocket 24

P2Rank 0.829 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 88 / 4744 genomes with a hit

Normalized 0.019

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 5 GO

Enzyme Commission (EC)

3.2.1.21

Gene Ontology (GO)

GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
GO:0004553 Catalysis of the hydrolysis of any O-glycosyl bond.
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:0009251 The chemical reactions and pathways resulting in the breakdown of glucans, polysaccharides consisting only of glucose residues.

Sequence Features

Domain/signature hits from InterPro and related databases.

34 records

Show feature table

Start	End	DB	Term	Name
22	638	PANTHER	PTHR30620	PERIPLASMIC BETA-GLUCOSIDASE-RELATED
23	384	SUPERFAMILY	SSF51445	(Trans)glycosidases
23	384	InterPro	IPR017853	Glycoside hydrolase superfamily
36	342	Pfam	PF00933	Glycosyl hydrolase family 3 N terminal domain
36	342	InterPro	IPR001764	Glycoside hydrolase, family 3, N-terminal
110	129	PRINTS	PR00133	Glycosyl hydrolase family 3 signature
110	129	InterPro	IPR001764	Glycoside hydrolase, family 3, N-terminal
156	172	PRINTS	PR00133	Glycosyl hydrolase family 3 signature
156	172	InterPro	IPR001764	Glycoside hydrolase, family 3, N-terminal
193	209	PRINTS	PR00133	Glycosyl hydrolase family 3 signature
193	209	InterPro	IPR001764	Glycoside hydrolase, family 3, N-terminal
263	281	PRINTS	PR00133	Glycosyl hydrolase family 3 signature
263	281	InterPro	IPR001764	Glycoside hydrolase, family 3, N-terminal
91	107	PRINTS	PR00133	Glycosyl hydrolase family 3 signature
91	107	InterPro	IPR001764	Glycoside hydrolase, family 3, N-terminal
263	280	ProSitePatterns	PS00775	Glycosyl hydrolases family 3 active site.
263	280	InterPro	IPR019800	Glycoside hydrolase, family 3, active site
20	362	FunFam	G3DSA:3.20.20.300:FF:000005	Periplasmic beta-glucosidase
675	744	SMART	SM01217	Fn3_like_2
675	744	InterPro	IPR026891	Fibronectin type III-like domain
371	638	FunFam	G3DSA:3.40.50.1700:FF:000004	Periplasmic beta-glucosidase
19	362	Gene3D	G3DSA:3.20.20.300	-
19	362	InterPro	IPR036962	Glycoside hydrolase, family 3, N-terminal domain superfamily
639	754	Gene3D	G3DSA:2.60.40.10	Immunoglobulins
639	754	InterPro	IPR013783	Immunoglobulin-like fold
371	638	Gene3D	G3DSA:3.40.50.1700	-
371	638	InterPro	IPR036881	Glycoside hydrolase family 3 C-terminal domain superfamily
385	638	Pfam	PF01915	Glycosyl hydrolase family 3 C-terminal domain
385	638	InterPro	IPR002772	Glycoside hydrolase family 3 C-terminal domain
676	743	Pfam	PF14310	Fibronectin type III-like domain
676	743	InterPro	IPR026891	Fibronectin type III-like domain
385	641	SUPERFAMILY	SSF52279	Beta-D-glucan exohydrolase, C-terminal domain
385	641	InterPro	IPR036881	Glycoside hydrolase family 3 C-terminal domain superfamily
640	755	FunFam	G3DSA:2.60.40.10:FF:000495	Periplasmic beta-glucosidase

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

0 + 2

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold AF_A0A0H3GQV7	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_03192	ColabFold	—	—	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				0.535
14				0.36

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK	Score	Probability
1	8.9	0.477
2	7.79	0.413
3	6.08	0.301
4	3.36	0.119
5	2.44	0.066

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
24				0.422

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK	Score	Probability
1	10.86	0.582
2	9.89	0.531
3	5.02	0.228
4	3.72	0.142
5	3.34	0.119

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.

55 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
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]…`
NOJ	6R5N	Q9I311	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`

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
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…`
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@…`
ZINC22064965	0.672	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@…`
ZINC87528054	0.672	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…`
ZINC1070097	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[…`
ZINC12359987	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@…`
ZINC12359988	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@…`
ZINC134307	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@…`
ZINC134310	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C…`
ZINC134325	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C…`
ZINC156947	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[…`
ZINC2539731	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@…`
ZINC3956718	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@…`
ZINC4028812	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C…`
ZINC4282153	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@…`
ZINC4282228	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@…`
ZINC4282287	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H…`
ZINC44963928	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H…`
ZINC4521725	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C…`
ZINC5227213	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[…`
ZINC5227791	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@…`
ZINC5842327	0.655	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C…`
ZINC13550858	0.636	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@…`
ZINC242464073	0.636	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@…`
ZINC6093332	0.636	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C…`

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.