Protein profile

PA0164

gamma-glutamyltranspeptidase

Genome: NC_002516.2

Gene: PA0164 Structure source: AlphaFold UniProt Q9I6W8

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Amino acids 538

Annotations 0

Features 16

PDB binders 6

Druggability 0.286

Overview

Basic information about this protein and its source genome.

Accession: PA0164
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA0164
Status: annotated
Amino acids: 538
Structure source: AlphaFold

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 33.108
Human E-value: 8.41e-13
Gut microbiome off-target: hit
Essential (DEG): Y
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 0.286

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

No GO or EC annotations are currently loaded for this protein.

Sequence Features

Domain/signature hits from InterPro and related databases.

16 records

Show feature table

Start	End	DB	Term	Name
360	538	Gene3D	G3DSA:3.60.20.40	-
360	538	InterPro	IPR043137	Gamma-glutamyltranspeptidase, small subunit
38	532	Pfam	PF01019	Gamma-glutamyltranspeptidase
253	359	Gene3D	G3DSA:1.10.246.130	-
253	359	InterPro	IPR043138	Gamma-glutamyltranspeptidase, large subunit, C-terminal domain
357	375	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
114	132	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
237	253	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
266	285	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
412	427	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
45	70	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
132	151	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
381	399	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
8	537	PANTHER	PTHR43881	GAMMA-GLUTAMYLTRANSPEPTIDASE (AFU_ORTHOLOGUE AFUA_4G13580)
7	535	SUPERFAMILY	SSF56235	N-terminal nucleophile aminohydrolases (Ntn hydrolases)
7	535	InterPro	IPR029055	Nucleophile aminohydrolases, N-terminal

3D Structure

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

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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 PA0164	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
2				0.286

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.

49 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
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	5XLU	A9YTT0	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`

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`
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`
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`
ZINC113147374	0.583	238.4 Da LogP 4.39 TPSA 26.3	✓ Ro5	✓ Clean	`O=C1CCCCCCCCC/C=C/CCCO1`
ZINC14454692	0.583	252.4 Da LogP 4.78 TPSA 26.3	✓ Ro5	✓ Clean	`O=C1CCCC/C=C/CCCCCCCCCO1`
ZINC253673363	0.583	252.4 Da LogP 4.78 TPSA 26.3	✓ Ro5	✓ Clean	`O=C1CCCCC=CCCCCCCCCCO1`
ZINC255249214	0.583	252.4 Da LogP 4.78 TPSA 26.3	✓ Ro5	✓ Clean	`O=C1CCCCCC=CCCCCCCCCO1`
ZINC256017027	0.583	238.4 Da LogP 4.39 TPSA 26.3	✓ Ro5	✓ Clean	`O=C1CCCCCCCCCC=CCCCO1`
ZINC256365217	0.583	252.4 Da LogP 4.78 TPSA 26.3	✓ Ro5	✓ Clean	`O=C1CCCCCCCC=CCCCCCCO1`
ZINC4288876	0.583	252.4 Da LogP 4.78 TPSA 26.3	✓ Ro5	✓ Clean	`O=C1CCCCCCC/C=C\CCCCCCO1`
ZINC5133674	0.583	252.4 Da LogP 4.78 TPSA 26.3	✓ Ro5	✓ Clean	`O=C1CCCCCCC/C=C/CCCCCCO1`
ZINC3881688	0.565	228.3 Da LogP 3.07 TPSA 35.5	✓ Ro5	✓ Clean	`O=C1CCCCCCCCCCOCCO1`
ZINC85545350	0.564	244.2 Da LogP -2.25 TPSA 155.1	✓ Ro5	Alert	`C[C@H](N)C(=O)N[C@@H](COC(=O)C=[N+]=[N-])C(=O)O`
ZINC1690029	0.545	204.2 Da LogP 0.42 TPSA 111.9	✓ Ro5	✓ Clean	`O=C(O)CCC(CCC(=O)O)C(=O)O`
ZINC4082260	0.538	256.4 Da LogP 3.59 TPSA 46.5	✓ Ro5	✓ Clean	`O=C1CCCCCCCCCC[C@@H](O)CCCO1`
ZINC4082261	0.538	256.4 Da LogP 3.59 TPSA 46.5	✓ Ro5	✓ Clean	`O=C1CCCCCCCCCC[C@H](O)CCCO1`
ZINC642882382	0.500	229.2 Da LogP 0.44 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@H]([C@@H](CCC(=O)O)C(=O)O)C(F)(F)F`
ZINC642882383	0.500	229.2 Da LogP 0.44 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@@H]([C@H](CCC(=O)O)C(=O)O)C(F)(F)F`
ZINC642882384	0.500	229.2 Da LogP 0.44 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@@H]([C@@H](CCC(=O)O)C(=O)O)C(F)(F)F`
ZINC642882385	0.500	229.2 Da LogP 0.44 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@H]([C@H](CCC(=O)O)C(=O)O)C(F)(F)F`

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.