Protein profile

KP13_31502

Gamma-glutamyltransferase

Genome: KpKP13

Gene: AHE44514.1 Structure source: Experimental + ColabFold UniProt A6T9C8

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Amino acids 528

Annotations 0

Features 15

PDB binders 8

Druggability 0.734

Overview

Basic information about this protein and its source genome.

Accession: KP13_31502
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE44514.1
Status: annotated
Amino acids: 528
Structure source: Experimental + ColabFold

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 30.5
Human E-value: 2.52e-07
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: Periplasmic
ColabFold pLDDT: 95.88

Selected Druggability evidence

PDB experimental structure

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 0.734

Structure 5HFT

Pocket Pocket 1

P2Rank 0.102

Structure 5HFT

Pocket Pocket 1

ColabFold model

FPocket 0.46 · Pocket 1

P2Rank 0.514 · Pocket 1

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 59 / 4744 genomes with a hit

Normalized 0.012

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.

15 records

Show feature table

Start	End	DB	Term	Name
25	523	Pfam	PF01019	Gamma-glutamyltranspeptidase
342	528	Gene3D	G3DSA:3.60.20.40	-
342	528	InterPro	IPR043137	Gamma-glutamyltranspeptidase, small subunit
238	337	Gene3D	G3DSA:1.10.246.130	-
238	337	InterPro	IPR043138	Gamma-glutamyltranspeptidase, large subunit, C-terminal domain
222	238	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
397	412	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
32	57	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
342	360	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
366	384	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
251	270	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
124	143	PRINTS	PR01210	Gamma-glutamyltranspeptidase signature
3	528	PANTHER	PTHR43881	GAMMA-GLUTAMYLTRANSPEPTIDASE (AFU_ORTHOLOGUE AFUA_4G13580)
5	528	SUPERFAMILY	SSF56235	N-terminal nucleophile aminohydrolases (Ntn hydrolases)
5	528	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.

Loading 3D structure...

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Structural evidence

1 + 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 5HFT	X-ray	20.00 Å	-	—	PDBe RCSB PDBj File	Viewing
ColabFold KP13_31502	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
4				0.765
41				0.734
37				0.293

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	3.87	0.151
2	3.09	0.104
3	3.06	0.102
4	2.68	0.079
5	2.28	0.057

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				0.46

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	Sticks	Spheres	Surfaces	Score	Probability	Labels	Zoom	Positions
1				6.95	0.358
2				4.78	0.212

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.