Protein profile

VK055_1831

PTS system, N-acetylglucosamine-specific IIBC component

Genome: KpATCC43816

Gene: AIK80444.1 nagE Structure source: AlphaFold + ColabFold UniProt A0A0H3GQ78

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Amino acids 632

Annotations 9

Features 69

PDB binders 1

Druggability 0.896

Overview

Basic information about this protein and its source genome.

Accession: VK055_1831
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: AIK80444.1 nagE
Status: annotated
Amino acids: 632
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: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: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:0019866 The inner, i.e. lumen-facing, lipid bilayer of an organelle envelope; usually highly selective to most ions and metabolites. 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 (%): 53.642
Localization: CytoplasmicMembrane
ColabFold pLDDT: 88.0

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 0.524 · Pocket 16

P2Rank 0.934 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 115 / 4744 genomes with a hit

Normalized 0.024

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

9 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: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: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:0019866 The inner, i.e. lumen-facing, lipid bilayer of an organelle envelope; usually highly selective to most ions and metabolites.
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.

69 records

Show feature table

Start	End	DB	Term	Name
213	233	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
112	134	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
144	166	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
341	433	NCBIfam	TIGR00826	glucose PTS transporter subunit EIIB
341	433	InterPro	IPR001996	Phosphotransferase system, IIB component, type 1
313	317	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
473	630	FunFam	G3DSA:2.70.70.10:FF:000001	PTS system glucose-specific IIA component
371	445	CDD	cd00212	PTS_IIB_glc
371	445	InterPro	IPR018113	Phosphotransferase system EIIB, cysteine phosphorylation site
173	195	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
146	166	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
77	99	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
258	262	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
75	93	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
135	145	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
341	632	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
49	69	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
113	134	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
483	607	Pfam	PF00358	phosphoenolpyruvate-dependent sugar phosphotransferase system, EIIA 1
483	607	InterPro	IPR001127	Phosphotransferase system, sugar-specific permease EIIA type 1
240	257	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
20	42	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
276	298	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
2	281	Pfam	PF02378	Phosphotransferase system, EIIC
2	281	InterPro	IPR003352	Phosphotransferase system, EIIC
263	287	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
49	71	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
386	403	ProSitePatterns	PS01035	PTS EIIB domains cysteine phosphorylation site signature.
386	403	InterPro	IPR018113	Phosphotransferase system EIIB, cysteine phosphorylation site
318	340	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	444	NCBIfam	TIGR01998	N-acetylglucosamine-specific PTS transporter subunit IIBC
1	444	InterPro	IPR010974	Phosphotransferase system, N-acetylglucosamine-specific IIBC component
20	42	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
377	408	Pfam	PF00367	phosphotransferase system, EIIB
377	408	InterPro	IPR018113	Phosphotransferase system EIIB, cysteine phosphorylation site
173	193	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
294	312	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
194	212	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
484	607	CDD	cd00210	PTS_IIA_glc
239	261	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
369	448	FunFam	G3DSA:3.30.1360.60:FF:000001	PTS system glucose-specific IIBC component PtsG
94	112	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
474	631	Gene3D	G3DSA:2.70.70.10	Glucose Permease (Domain IIA)
474	631	InterPro	IPR011055	Duplicated hybrid motif
288	293	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
373	446	SUPERFAMILY	SSF55604	Glucose permease domain IIB
373	446	InterPro	IPR036878	Glucose permease domain IIB
210	232	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
318	340	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	449	PANTHER	PTHR30009	CYTOCHROME C-TYPE SYNTHESIS PROTEIN AND PTS TRANSMEMBRANE COMPONENT
484	604	NCBIfam	TIGR00830	glucose PTS transporter subunit IIA
484	604	InterPro	IPR001127	Phosphotransferase system, sugar-specific permease EIIA type 1
1	19	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
234	239	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
1	352	ProSiteProfiles	PS51103	PTS_EIIC type-1 domain profile.
1	352	InterPro	IPR013013	Phosphotransferase system, EIIC component, type 1
546	558	ProSitePatterns	PS00371	PTS EIIA domains phosphorylation site signature 1.
546	558	InterPro	IPR001127	Phosphotransferase system, sugar-specific permease EIIA type 1
43	48	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
369	448	Gene3D	G3DSA:3.30.1360.60	Glucose permease domain IIB
369	448	InterPro	IPR036878	Glucose permease domain IIB
371	453	ProSiteProfiles	PS51098	PTS_EIIB type-1 domain profile.
371	453	InterPro	IPR001996	Phosphotransferase system, IIB component, type 1
167	172	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
70	74	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
500	604	ProSiteProfiles	PS51093	PTS_EIIA type-1 domain profile.
500	604	InterPro	IPR001127	Phosphotransferase system, sugar-specific permease EIIA type 1
479	627	SUPERFAMILY	SSF51261	Duplicated hybrid motif
479	627	InterPro	IPR011055	Duplicated hybrid motif

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 + 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 VK055_1831	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
16				0.524
8				0.487
26				0.407
13				0.325

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	23.72	0.891
2	12.57	0.655
3	5.1	0.234
4	2.46	0.067
5	2.19	0.052

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.