Protein profile

KP13_31488

PTS system N-acetylglucosamine-specific EIICBA component

Genome: KpKP13

Gene: AHE45690.1 nagE Structure source: AlphaFold + ColabFold UniProt A0A0H3GQ78

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Amino acids 651

Annotations 9

Features 72

PDB binders 1

Druggability 0.896

Overview

Basic information about this protein and its source genome.

Accession: KP13_31488
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE45690.1 nagE
Status: annotated
Amino acids: 651
Structure source: AlphaFold + ColabFold

GO:0019866 The inner, i.e. lumen-facing, lipid bilayer of an organelle envelope; usually highly selective to most ions and metabolites. GO:0015572 Enables the transfer of N-acetylglucosamine from one side of a membrane to the other. The D isomer of N-acetylglucosamine is a common structural unit of glycoproteins in plants, bacteria and animals; it is often the terminal sugar of an oligosaccharide group of a glycoprotein. GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0009401 The uptake and phosphorylation of specific carbohydrates from the extracellular environment; uptake and phosphorylation are coupled, making the PTS a link between the uptake and metabolism of sugars; phosphoenolpyruvate is the original phosphate donor; phosphoenolpyruvate passes the phosphate via a signal transduction pathway, to enzyme 1 (E1), which in turn passes it on to the histidine protein, HPr; the next step in the system involves sugar-specific membrane-bound complex, enzyme 2 (EII), which transports the sugar into the cell; it includes the sugar permease, which catalyzes the transport reactions; EII is usually divided into three different domains, EIIA, EIIB, and EIIC. GO:0008982 Catalysis of the PEP-dependent, phosphoryl transfer-driven transport of substances across a membrane. The transport happens by catalysis of the reaction: protein N-phosphohistidine + sugar(out) = protein histidine + sugar phosphate(in). This differs from primary and secondary active transport in that the solute is modified during transport. GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: CytoplasmicMembrane
ColabFold pLDDT: 86.34

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 0.896

Structure A0A0H3GQ78

Pocket Pocket 6

P2Rank 0.892

Structure A0A0H3GQ78

Pocket Pocket 1

ColabFold model

FPocket 0.82 · Pocket 5

P2Rank 0.943 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 118 / 4744 genomes with a hit

Normalized 0.025

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

9 GO

Gene Ontology (GO)

GO:0019866 The inner, i.e. lumen-facing, lipid bilayer of an organelle envelope; usually highly selective to most ions and metabolites.
GO:0015572 Enables the transfer of N-acetylglucosamine from one side of a membrane to the other. The D isomer of N-acetylglucosamine is a common structural unit of glycoproteins in plants, bacteria and animals; it is often the terminal sugar of an oligosaccharide group of a glycoprotein.
GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0009401 The uptake and phosphorylation of specific carbohydrates from the extracellular environment; uptake and phosphorylation are coupled, making the PTS a link between the uptake and metabolism of sugars; phosphoenolpyruvate is the original phosphate donor; phosphoenolpyruvate passes the phosphate via a signal transduction pathway, to enzyme 1 (E1), which in turn passes it on to the histidine protein, HPr; the next step in the system involves sugar-specific membrane-bound complex, enzyme 2 (EII), which transports the sugar into the cell; it includes the sugar permease, which catalyzes the transport reactions; EII is usually divided into three different domains, EIIA, EIIB, and EIIC.
GO:0008982 Catalysis of the PEP-dependent, phosphoryl transfer-driven transport of substances across a membrane. The transport happens by catalysis of the reaction: protein N-phosphohistidine + sugar(out) = protein histidine + sugar phosphate(in). This differs from primary and secondary active transport in that the solute is modified during transport.
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:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.
GO:0090563 Catalysis of the PEP-dependent, phosphoryl transfer-driven transport of substances across a membrane. The transport happens by catalysis of the reaction: protein S-phosphocysteine + sugar(out) = protein cysteine + sugar phosphate(in). This differs from primary and secondary active transport in that the solute is modified during transport.
GO:0015764 The directed movement of N-acetylglucosamine into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.

Sequence Features

Domain/signature hits from InterPro and related databases.

72 records

Show feature table

Start	End	DB	Term	Name
40	62	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
154	164	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
253	258	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
258	280	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
69	91	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
277	281	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
229	251	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
502	626	Pfam	PF00358	phosphoenolpyruvate-dependent sugar phosphotransferase system, EIIA 1
502	626	InterPro	IPR001127	Phosphotransferase system, sugar-specific permease EIIA type 1
360	452	NCBIfam	TIGR00826	glucose PTS transporter subunit EIIB
360	452	InterPro	IPR001996	Phosphotransferase system, IIB component, type 1
388	467	FunFam	G3DSA:3.30.1360.60:FF:000001	PTS system glucose-specific IIBC component PtsG
186	191	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
337	359	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
405	422	ProSitePatterns	PS01035	PTS EIIB domains cysteine phosphorylation site signature.
405	422	InterPro	IPR018113	Phosphotransferase system EIIB, cysteine phosphorylation site
307	312	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
493	650	Gene3D	G3DSA:2.70.70.10	Glucose Permease (Domain IIA)
493	650	InterPro	IPR011055	Duplicated hybrid motif
388	467	Gene3D	G3DSA:3.30.1360.60	Glucose permease domain IIB
388	467	InterPro	IPR036878	Glucose permease domain IIB
390	472	ProSiteProfiles	PS51098	PTS_EIIB type-1 domain profile.
390	472	InterPro	IPR001996	Phosphotransferase system, IIB component, type 1
12	28	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
69	88	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
519	623	ProSiteProfiles	PS51093	PTS_EIIA type-1 domain profile.
519	623	InterPro	IPR001127	Phosphotransferase system, sugar-specific permease EIIA type 1
313	331	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
192	214	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
192	212	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
131	153	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
498	646	SUPERFAMILY	SSF51261	Duplicated hybrid motif
498	646	InterPro	IPR011055	Duplicated hybrid motif
163	185	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
503	626	CDD	cd00210	PTS_IIA_glc
29	39	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
96	118	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
13	30	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
113	131	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
259	276	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
282	306	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
503	623	NCBIfam	TIGR00830	glucose PTS transporter subunit IIA
503	623	InterPro	IPR001127	Phosphotransferase system, sugar-specific permease EIIA type 1
63	68	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
213	231	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
295	317	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
94	112	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
165	185	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
565	577	ProSitePatterns	PS00371	PTS EIIA domains phosphorylation site signature 1.
565	577	InterPro	IPR001127	Phosphotransferase system, sugar-specific permease EIIA type 1
360	651	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
332	336	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
12	300	Pfam	PF02378	Phosphotransferase system, EIIC
12	300	InterPro	IPR003352	Phosphotransferase system, EIIC
1	11	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
89	93	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
3	463	NCBIfam	TIGR01998	N-acetylglucosamine-specific PTS transporter subunit IIBC
3	463	InterPro	IPR010974	Phosphotransferase system, N-acetylglucosamine-specific IIBC component
390	464	CDD	cd00212	PTS_IIB_glc
390	464	InterPro	IPR018113	Phosphotransferase system EIIB, cysteine phosphorylation site
337	359	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	371	ProSiteProfiles	PS51103	PTS_EIIC type-1 domain profile.
1	371	InterPro	IPR013013	Phosphotransferase system, EIIC component, type 1
396	427	Pfam	PF00367	phosphotransferase system, EIIB
396	427	InterPro	IPR018113	Phosphotransferase system EIIB, cysteine phosphorylation site
392	465	SUPERFAMILY	SSF55604	Glucose permease domain IIB
392	465	InterPro	IPR036878	Glucose permease domain IIB
232	252	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
2	468	PANTHER	PTHR30009	CYTOCHROME C-TYPE SYNTHESIS PROTEIN AND PTS TRANSMEMBRANE COMPONENT
132	153	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
40	62	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
492	649	FunFam	G3DSA:2.70.70.10:FF:000001	PTS system glucose-specific IIA component

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_A0A0H3GQ78	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_31488	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				0.896
17				0.297

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	18.33	0.82
2	3.42	0.123
3	3.0	0.098
4	2.7	0.081
5	2.64	0.077

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
5				0.82
17				0.411
19				0.396
15				0.269

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	24.51	0.899
2	14.99	0.741
3	3.12	0.105
4	2.7	0.081
5	2.46	0.067

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.

1 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
PO3	2MP0	P69783	79.0 Da LogP -1.64 TPSA 63.2	✓ Ro5	✓ Clean	`[O-][P-](=O)[O-]`

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).

No virtual-screening candidates for this protein.

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.