Protein profile

VK055_3663

gamma-glutamyltransferase

Genome: KpATCC43816

Gene: AIK82218.1 ggt Structure source: AlphaFold + ColabFold UniProt A0A0H3GWX6

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Amino acids 580

Annotations 6

Features 30

PDB binders 8

Druggability 0.442

Overview

Basic information about this protein and its source genome.

Accession: VK055_3663
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: AIK82218.1 ggt
Status: annotated
Amino acids: 580
Structure source: AlphaFold + ColabFold

2.3.2.2 3.4.19.13

GO:0006751 The chemical reactions and pathways resulting in the breakdown of glutathione, the tripeptide glutamylcysteinylglycine, which acts as a coenzyme for some enzymes and as an antioxidant in the protection of sulfhydryl groups in enzymes and other proteins. GO:0036374 Catalysis of the reaction: glutathione + H2O = L-cysteinylglycine + L-glutamate. GO:0103068 OBSOLETE. Catalysis of the reaction: leukotriene C4 + a standard alpha amino acid = leukotriene D4 + an (gamma-L-glutamyl)-L-amino acid. GO:0006750 The chemical reactions and pathways resulting in the formation of glutathione, the tripeptide glutamylcysteinylglycine, which acts as a coenzyme for some enzymes and as an antioxidant in the protection of sulfhydryl groups in enzymes and other proteins.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 40.876
Human E-value: 2.38e-24
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 88.793
DEG E-value: 0.0
Localization: Periplasmic
ColabFold pLDDT: 91.1

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 0.442

Structure A0A0H3GWX6

Pocket Pocket 6

P2Rank 0.711

Structure A0A0H3GWX6

Pocket Pocket 1

ColabFold model

FPocket 0.209 · Pocket 10

P2Rank 0.66 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 104 / 4744 genomes with a hit

Normalized 0.022

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 EC 4 GO

Enzyme Commission (EC)

Gene Ontology (GO)

GO:0006751 The chemical reactions and pathways resulting in the breakdown of glutathione, the tripeptide glutamylcysteinylglycine, which acts as a coenzyme for some enzymes and as an antioxidant in the protection of sulfhydryl groups in enzymes and other proteins.
GO:0036374 Catalysis of the reaction: glutathione + H2O = L-cysteinylglycine + L-glutamate.
GO:0103068 OBSOLETE. Catalysis of the reaction: leukotriene C4 + a standard alpha amino acid = leukotriene D4 + an (gamma-L-glutamyl)-L-amino acid.
GO:0006750 The chemical reactions and pathways resulting in the formation of glutathione, the tripeptide glutamylcysteinylglycine, which acts as a coenzyme for some enzymes and as an antioxidant in the protection of sulfhydryl groups in enzymes and other proteins.

Sequence Features

Domain/signature hits from InterPro and related databases.

30 records

Show feature table

Start	End	DB	Term	Name
64	572	Pfam	PF01019	Gamma-glutamyltranspeptidase
277	390	Gene3D	G3DSA:1.10.246.130	-
277	390	InterPro	IPR043138	Gamma-glutamyltranspeptidase, large subunit, C-terminal domain
22	25	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
1	25	Phobius	SIGNAL_PEPTIDE	Signal peptide region
42	572	PANTHER	PTHR43199	GLUTATHIONE HYDROLASE
1	9	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
391	580	Gene3D	G3DSA:3.60.20.40	-
391	580	InterPro	IPR043137	Gamma-glutamyltranspeptidase, small subunit
26	580	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
277	390	FunFam	G3DSA:1.10.246.130:FF:000004	Gamma-glutamyltranspeptidase (Ggt)
1	25	SignalP_GRAM_NEGATIVE	SignalP-noTM	SignalP-noTM
49	571	NCBIfam	TIGR00066	gamma-glutamyltransferase
49	571	InterPro	IPR000101	Gamma-glutamyltranspeptidase
41	573	SUPERFAMILY	SSF56235	N-terminal nucleophile aminohydrolases (Ntn hydrolases)
41	573	InterPro	IPR029055	Nucleophile aminohydrolases, N-terminal
1	25	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
391	415	ProSitePatterns	PS00462	Gamma-glutamyltranspeptidase signature.
391	415	InterPro	IPR000101	Gamma-glutamyltranspeptidase
10	21	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
291	310	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
480	497	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
162	181	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
391	409	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
71	96	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
261	277	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
415	433	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
456	471	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
144	162	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
391	580	FunFam	G3DSA:3.60.20.40:FF:000003	Gamma-glutamyltranspeptidase

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_A0A0H3GWX6	AlphaFold	—	—	full sequence	—	Viewing
ColabFold VK055_3663	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
6				0.442
30				0.071
3				0.005
8				0.003

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	16.81	0.711
2	4.97	0.185
3	4.95	0.184
4	2.79	0.069
5	2.19	0.043

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
14				0.206
4				0.061
3				0.034
16				0.0

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	15.01	0.66
2	4.31	0.147
3	3.49	0.101
4	2.88	0.073
5	2.67	0.064

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
4UD	5BPK	O25743	144.1 Da LogP -0.83 TPSA 84.9	✓ Ro5	✓ Clean	`C1C=NO[C@@H]1[C@@H](C(=O)O)N`
6FY	5B5T	P18956	310.2 Da LogP -0.74 TPSA 156.0	✓ Ro5	✓ Clean	`CC[C@H](C(=O)NCC(=O)O)O[P@H](=O)CC[C@@H](C(=O)O…`
AVN	3FNM	O25743	178.6 Da LogP -0.26 TPSA 84.9	✓ Ro5	✓ Clean	`C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N`
AZS	2Z8I	P18956	173.1 Da LogP -1.76 TPSA 126.0	✓ Ro5	Alert	`C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-]`
DON	5Y9B	Q65KZ6	173.2 Da LogP -0.22 TPSA 116.6	✓ Ro5	Alert	`C(CC(=O)CN=N)[C@@H](C(=O)O)N`
GBL	7D9X	A0A6G6IRK3	86.1 Da LogP 0.32 TPSA 26.3	✓ Ro5	✓ Clean	`C1CC(=O)OC1`
GGL	2DBW	P18956	147.1 Da LogP -0.74 TPSA 100.6	✓ Ro5	✓ Clean	`C(CC(=O)O)[C@@H](C(=O)O)N`
GTB	2QMC	O25743	442.5 Da LogP -0.29 TPSA 202.0	✓ Ro5	✓ Clean	`c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H]…`

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
ZINC2031112	0.824	200.2 Da LogP 1.43 TPSA 52.6	✓ Ro5	✓ Clean	`O=C1CCCCC(=O)OCCCCO1`
ZINC113251999	0.778	228.3 Da LogP 2.21 TPSA 52.6	✓ Ro5	✓ Clean	`O=C1CCCCC(=O)OCCCCCCO1`
ZINC34542648	0.778	228.3 Da LogP 2.21 TPSA 52.6	✓ Ro5	✓ Clean	`O=C1CCCCCOC(=O)CCCCCO1`
ZINC4023310	0.778	212.3 Da LogP 3.83 TPSA 26.3	✓ Ro5	✓ Clean	`O=C1CCCCCCCCCCCCO1`
ZINC4023520	0.778	240.4 Da LogP 4.61 TPSA 26.3	✓ Ro5	✓ Clean	`O=C1CCCCCCCCCCCCCCO1`
ZINC4026026	0.778	256.3 Da LogP 2.99 TPSA 52.6	✓ Ro5	✓ Clean	`O=C1CCCCCCCCC(=O)OCCCCO1`
ZINC4026253	0.778	284.4 Da LogP 3.77 TPSA 52.6	✓ Ro5	✓ Clean	`O=C1CCCCCCCCC(=O)OCCCCCCO1`
ZINC4026492	0.778	270.4 Da LogP 3.38 TPSA 52.6	✓ Ro5	✓ Clean	`O=C1CCCCCCCCC(=O)OCCCCCO1`
ZINC4676827	0.778	270.4 Da LogP 3.38 TPSA 52.6	✓ Ro5	✓ Clean	`O=C1CCCCCCCC(=O)OCCCCCCO1`
ZINC33802904	0.765	344.4 Da LogP 1.29 TPSA 105.2	✓ Ro5	✓ Clean	`O=C1CCCCC(=O)OCCOC(=O)CCCCC(=O)OCCO1`
ZINC35906424	0.765	344.4 Da LogP 1.29 TPSA 105.2	✓ Ro5	✓ Clean	`O=C1CCC(=O)OCCCCOC(=O)CCC(=O)OCCCCO1`
ZINC4026344	0.750	254.4 Da LogP 3.79 TPSA 43.4	✓ Ro5	✓ Clean	`O=C1CCCCCCCCCCC(=O)OCCC1`
ZINC196715962	0.722	456.6 Da LogP 4.41 TPSA 105.2	✓ Ro5	✓ Clean	`O=C1CCCCCCCCC(=O)OCCOC(=O)CCCCCCCCC(=O)OCCO1`
ZINC4015272	0.722	228.3 Da LogP 2.21 TPSA 52.6	✓ Ro5	✓ Clean	`O=C1CCCCCCCCC(=O)OCCO1`
ZINC4024376	0.722	270.4 Da LogP 3.38 TPSA 52.6	✓ Ro5	✓ Clean	`O=C1CCCCCCCCCCCC(=O)OCCO1`
ZINC4026271	0.722	214.3 Da LogP 1.82 TPSA 52.6	✓ Ro5	✓ Clean	`O=C1CCCCCCCC(=O)OCCO1`
ZINC4794429	0.722	256.3 Da LogP 2.99 TPSA 52.6	✓ Ro5	✓ Clean	`O=C1CCCCCCCCCCC(=O)OCCO1`
ZINC3870210	0.698	473.4 Da LogP -0.53 TPSA 245.1	✓ Ro5	✓ Clean	`N[C@@H](CCC(=O)N[C@@H](CSc1ccc([N+](=O)[O-])cc1…`
ZINC2106542	0.667	245.3 Da LogP 1.99 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCCCCCCC(=O)O)C(=O)O`
ZINC2106543	0.667	245.3 Da LogP 1.99 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@H](CCCCCCCCCC(=O)O)C(=O)O`
ZINC2108713	0.667	217.3 Da LogP 1.21 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCCCCC(=O)O)C(=O)O`
ZINC2108714	0.667	217.3 Da LogP 1.21 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@H](CCCCCCCC(=O)O)C(=O)O`
ZINC3881672	0.667	256.4 Da LogP 3.85 TPSA 35.5	✓ Ro5	✓ Clean	`O=C1CCCCCCCCCCOCCCCO1`
ZINC4026039	0.667	256.4 Da LogP 3.85 TPSA 35.5	✓ Ro5	✓ Clean	`O=C1CCCCCCCCCOCCCCCO1`
ZINC5189357	0.667	256.4 Da LogP 3.85 TPSA 35.5	✓ Ro5	✓ Clean	`O=C1CCCCCCCCOCCCCCCO1`
ZINC139862480	0.650	304.3 Da LogP 0.70 TPSA 80.3	✓ Ro5	✓ Clean	`O=C1CCCCC(=O)OCCOCCOCCOCCO1`
ZINC5188445	0.650	216.2 Da LogP 0.66 TPSA 61.8	✓ Ro5	✓ Clean	`O=C1CCCCC(=O)OCCOCCO1`
ZINC2242694	0.643	276.2 Da LogP -1.39 TPSA 167.0	✓ Ro5	✓ Clean	`N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O`
ZINC2547582	0.643	276.2 Da LogP -1.39 TPSA 167.0	✓ Ro5	✓ Clean	`N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O`
ZINC4096970	0.643	405.4 Da LogP -2.04 TPSA 233.4	1 viol.	✓ Clean	`N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)…`
ZINC4545890	0.643	276.2 Da LogP -1.39 TPSA 167.0	✓ Ro5	✓ Clean	`N[C@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O`
ZINC4545891	0.643	276.2 Da LogP -1.39 TPSA 167.0	✓ Ro5	✓ Clean	`N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O`
ZINC3055005	0.619	204.2 Da LogP -0.63 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCC[C@H](N)C(=O)O)C(=O)O`
ZINC3055007	0.619	204.2 Da LogP -0.63 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC3055010	0.619	204.2 Da LogP -0.63 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC4024200	0.619	300.4 Da LogP 3.00 TPSA 61.8	✓ Ro5	✓ Clean	`O=C1CCCCCCCCCCC(=O)OCCOCCO1`
ZINC4863091	0.619	316.4 Da LogP 2.24 TPSA 71.1	✓ Ro5	✓ Clean	`O=C1CCCCCCCCC(=O)OCCOCCOCCO1`
ZINC18024709	0.600	269.4 Da LogP 4.05 TPSA 58.9	✓ Ro5	✓ Clean	`O=C1CCCCCCCCCC/C(=N\O)CCCO1`
ZINC72334032	0.600	241.3 Da LogP 3.27 TPSA 58.9	✓ Ro5	✓ Clean	`O=C1CCCCCCCC/C(=N\O)CCCO1`
ZINC13537379	0.593	256.3 Da LogP 1.24 TPSA 106.5	✓ Ro5	✓ Clean	`N[C@@H](CSCc1ccc([N+](=O)[O-])cc1)C(=O)O`
ZINC1530265	0.593	219.2 Da LogP -0.80 TPSA 126.9	✓ Ro5	✓ Clean	`N[C@H](CCOC(=O)CCC(=O)O)C(=O)O`
ZINC1532858	0.593	219.2 Da LogP -0.80 TPSA 126.9	✓ Ro5	✓ Clean	`N[C@@H](CCOC(=O)CCC(=O)O)C(=O)O`
ZINC1576202	0.593	204.2 Da LogP -1.62 TPSA 129.7	✓ Ro5	✓ Clean	`N[C@@H](CCC(=O)NCC(=O)O)C(=O)O`
ZINC1680890	0.593	256.3 Da LogP 1.24 TPSA 106.5	✓ Ro5	✓ Clean	`N[C@H](CSCc1ccc([N+](=O)[O-])cc1)C(=O)O`
ZINC3995565	0.593	204.2 Da LogP -1.62 TPSA 129.7	✓ Ro5	✓ Clean	`N[C@H](CCC(=O)NCC(=O)O)C(=O)O`
ZINC1555366	0.591	232.3 Da LogP 0.15 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCCC[C@H](N)C(=O)O)C(=O)O`
ZINC1555367	0.591	232.3 Da LogP 0.15 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1555369	0.591	232.3 Da LogP 0.15 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1720127	0.591	218.3 Da LogP -0.24 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCC[C@H](N)C(=O)O)C(=O)O`
ZINC1720128	0.591	218.3 Da LogP -0.24 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCC[C@@H](N)C(=O)O)C(=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.