Protein profile

KP13_32189

inner membrane protein

Genome: KpKP13

Gene: AHE46843.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GHN2

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Amino acids 449

Annotations 6

Features 43

PDB binders 0

Druggability 0.955

Overview

Basic information about this protein and its source genome.

Accession: KP13_32189
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE46843.1
Status: annotated
Amino acids: 449
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:0015208 Enables the transfer of guanine, 2-amino-6-hydroxypurine, 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 (%): 93.764
DEG E-value: 0.0
Localization: CytoplasmicMembrane
ColabFold pLDDT: 85.67

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 0.955

Structure A0A0H3GHN2

Pocket Pocket 7

P2Rank 0.92

Structure A0A0H3GHN2

Pocket Pocket 1

ColabFold model

FPocket 0.844 · Pocket 15

P2Rank 0.94 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 137 / 4744 genomes with a hit

Normalized 0.029

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:0015208 Enables the transfer of guanine, 2-amino-6-hydroxypurine, from one side of a membrane to the other.

Sequence Features

Domain/signature hits from InterPro and related databases.

43 records

Show feature table

Start	End	DB	Term	Name
55	74	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
202	224	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
10	437	PANTHER	PTHR43337	XANTHINE/URACIL PERMEASE C887.17-RELATED
10	437	InterPro	IPR045018	Azaguanine-like transporters
29	51	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
391	413	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
333	350	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
85	107	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
81	101	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	28	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
357	378	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
141	163	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
356	378	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
173	195	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
322	332	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
221	255	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
351	356	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
107	129	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
50	54	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
244	266	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
130	140	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
26	409	Pfam	PF00860	Permease family
26	409	InterPro	IPR006043	Nucleobase cation symporter 2 family
428	448	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
202	220	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
390	416	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
379	389	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
256	280	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
281	300	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
29	49	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
171	195	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
428	447	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
196	201	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
449	449	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
166	170	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
75	80	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
141	165	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
102	106	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
334	351	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
301	321	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
56	78	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
417	427	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
112	134	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.

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_A0A0H3GHN2	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_32189	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
7				0.955
9				0.815

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	33.06	0.945
2	5.36	0.254
3	1.48	0.021
4	1.46	0.02
5	1.01	0.006

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
15				0.844
1				0.763

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	23.28	0.887
2	6.55	0.331
3	4.85	0.217
4	3.2	0.11
5	1.19	0.01

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.