Protein profile

KP13_00039

Putative permease

Genome: KpKP13

Gene: AHE47150.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3H0H6

Export view

Amino acids 445

Annotations 6

Features 46

PDB binders 0

Druggability 0.887

Overview

Basic information about this protein and its source genome.

Accession: KP13_00039
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE47150.1
Status: annotated
Amino acids: 445
Structure source: AlphaFold + ColabFold

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other. GO:0015205 Enables the transfer of a nucleobase, any nitrogenous base that is a constituent of a nucleoside, nucleotide, or nucleic acidfrom one side of a membrane to the other. GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other. GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. GO:0015207 Enables the transfer of adenine, 6-aminopurine, from one side of a membrane to the other.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 48.961
DEG E-value: 2e-139
Localization: CytoplasmicMembrane
ColabFold pLDDT: 89.88

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 0.887

Structure A0A0H3H0H6

Pocket Pocket 10

P2Rank 0.728

Structure A0A0H3H0H6

Pocket Pocket 1

ColabFold model

FPocket 0.994 · Pocket 20

P2Rank 0.683 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 181 / 4744 genomes with a hit

Normalized 0.038

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other.
GO:0015205 Enables the transfer of a nucleobase, any nitrogenous base that is a constituent of a nucleoside, nucleotide, or nucleic acidfrom one side of a membrane to the other.
GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
GO:0015207 Enables the transfer of adenine, 6-aminopurine, from one side of a membrane to the other.

Sequence Features

Domain/signature hits from InterPro and related databases.

46 records

Show feature table

Start	End	DB	Term	Name
327	349	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
443	445	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
206	226	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
246	266	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
142	161	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
388	412	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
205	222	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
31	404	Pfam	PF00860	Permease family
31	404	InterPro	IPR006043	Nucleobase cation symporter 2 family
267	294	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
227	245	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
253	275	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
200	205	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
377	387	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
356	376	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
389	411	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
181	199	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
162	180	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
329	349	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
82	87	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
356	374	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
413	423	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
295	317	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
350	355	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
1	31	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
424	442	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
5	444	PIRSF	PIRSF005353	PbuG
5	444	InterPro	IPR026033	Azaguanine-like transporters, bacteria and archaea type
113	135	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
318	328	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
62	81	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
30	52	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
57	61	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
62	84	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
86	108	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
142	161	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
88	106	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
176	198	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
131	141	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
112	130	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
295	317	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
32	56	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
424	442	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
4	437	PANTHER	PTHR43337	XANTHINE/URACIL PERMEASE C887.17-RELATED
4	437	InterPro	IPR045018	Azaguanine-like transporters
107	111	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.

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...

Legend High Medium Low

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_A0A0H3H0H6	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_00039	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
10				0.887
1				0.871
8				0.823
4				0.244

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	11.69	0.621
2	8.11	0.431
3	3.35	0.119
4	3.22	0.111
5	3.13	0.106

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
20				0.994

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	14.96	0.74
2	5.25	0.245
3	3.56	0.132
4	3.44	0.124
5	2.99	0.097

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.

10 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.

No PDB ligands found through similar proteins.

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
CHEMBL4166601	G5EB00	—	301.4 Da LogP 3.63 TPSA 66.5	✓ Ro5	✓ Clean	`c1ccc(CNc2nccc3[nH]c(-c4ccncc4)nc23)cc1`
CHEMBL4170020	G5EB00	—	316.4 Da LogP 3.94 TPSA 73.8	✓ Ro5	✓ Clean	`Oc1ccccc1-c1nc2c(NCc3ccccc3)nccc2[nH]1`
CHEMBL4176165	G5EB00	—	338.4 Da LogP 2.28 TPSA 91.2	✓ Ro5	✓ Clean	`CN1CCN(c2nccc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc2…`
CHEMBL4177224	G5EB00	—	360.4 Da LogP 4.25 TPSA 72.1	✓ Ro5	✓ Clean	`COc1ccc(OC)c(-c2nc3c(NCc4ccccc4)nccc3[nH]2)c1`

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
ZINC1109800	0.534	364.4 Da LogP 3.80 TPSA 84.3	✓ Ro5	✓ Clean	`Cc1ccc(-c2nc(N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3…`
ZINC265172417	0.519	236.3 Da LogP 1.05 TPSA 62.5	✓ Ro5	✓ Clean	`Cc1ccnc(N2CCN(C)CC2)c1[N+](=O)[O-]`
ZINC41004999	0.518	254.3 Da LogP 3.25 TPSA 47.1	✓ Ro5	✓ Clean	`COc1ccc(OC)c(-c2nc3ccccc3[nH]2)c1`
ZINC310240976	0.509	237.3 Da LogP 0.32 TPSA 88.5	✓ Ro5	✓ Clean	`CN1CCN(c2nccc(N)c2[N+](=O)[O-])CC1`
ZINC36359819	0.500	388.4 Da LogP 3.79 TPSA 94.1	✓ Ro5	✓ Clean	`COc1ccc(Nc2nc(NCc3ccccc3)c3nccnc3n2)c(OC)c1`
ZINC509842	0.500	312.4 Da LogP 4.30 TPSA 50.7	✓ Ro5	✓ Clean	`c1ccc(CNc2nc(-c3ccncc3)nc3ccccc23)cc1`

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.