Protein profile

KP13_04892

N-acetyl-D-glucosamine kinase

Genome: KpKP13

Gene: AHE45252.1 nagK Structure source: AlphaFold + ColabFold UniProt A0A0H3GMV9
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Amino acids 303
Annotations 6
Features 15
PDB binders 3
Druggability 0.874

Overview

Basic information about this protein and its source genome.

Accession
KP13_04892
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE45252.1 nagK
Status
annotated
Amino acids
303
Structure source
AlphaFold + ColabFold
EC
2.7.1.59
GO
GO:0045127 Catalysis of the reaction: N-acetyl-D-glucosamine + ATP = N-acetyl-D-glucosamine 6-phosphate + ADP + H+. GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0008270 Binding to a zinc ion (Zn). GO:0006044 The chemical reactions and pathways involving N-acetylglucosamine. The D isomer 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:0009254 The continual breakdown and regeneration of peptidoglycan required to maintain the bacterial cell wall. Peptidoglycans consist of long glycan strands of alternating residues of beta-(1,4) linked N-acetylglucosamine and N-acetylmuramic acid, cross-linked by short peptides.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
25.641
Human E-value
4.53e-07
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
50.165
DEG E-value
6.01e-106
Localization
Cytoplasmic
ColabFold pLDDT
96.92

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 0.874
Structure A0A0H3GMV9
Pocket Pocket 1
P2Rank 0.83
Structure A0A0H3GMV9
Pocket Pocket 1
ColabFold model
FPocket 0.628 · Pocket 1
P2Rank 0.823 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 105 / 4744 genomes with a hit
Normalized 0.022

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 5 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

5
  • GO:0045127 Catalysis of the reaction: N-acetyl-D-glucosamine + ATP = N-acetyl-D-glucosamine 6-phosphate + ADP + H+.
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
  • GO:0008270 Binding to a zinc ion (Zn).
  • GO:0006044 The chemical reactions and pathways involving N-acetylglucosamine. The D isomer 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:0009254 The continual breakdown and regeneration of peptidoglycan required to maintain the bacterial cell wall. Peptidoglycans consist of long glycan strands of alternating residues of beta-(1,4) linked N-acetylglucosamine and N-acetylmuramic acid, cross-linked by short peptides.

Sequence Features

Domain/signature hits from InterPro and related databases.

15 records
Show feature table
Start End DB Term Name
124 291 FunFam G3DSA:3.30.420.40:FF:000051 N-acetyl-D-glucosamine kinase
119 291 Gene3D G3DSA:3.30.420.40 -
1 301 SUPERFAMILY SSF53067 Actin-like ATPase domain
1 301 InterPro IPR043129 ATPase, nucleotide binding domain
2 299 PANTHER PTHR18964 ROK (REPRESSOR, ORF, KINASE) FAMILY
2 299 InterPro IPR000600 ROK family
4 297 Gene3D G3DSA:3.30.420.40 -
130 157 ProSitePatterns PS01125 ROK family signature.
130 157 InterPro IPR000600 ROK family
2 300 Pfam PF00480 ROK family
2 300 InterPro IPR000600 ROK family
1 303 Hamap MF_01271 N-acetyl-D-glucosamine kinase [nagK].
1 303 InterPro IPR023505 N-acetyl-D-glucosamine kinase
4 118 CDD cd00012 NBD_sugar-kinase_HSP70_actin
4 123 FunFam G3DSA:3.30.420.40:FF:000049 N-acetyl-D-glucosamine kinase

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

3D visualization script Full viewer

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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_A0A0H3GMV9
AlphaFold — — full sequence — Viewing
ColabFold KP13_04892
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
1 0.874

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 7.24 0.377
2 5.54 0.265
3 1.39 0.017

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.

53 records

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.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
7PE
5F7Q
Q8YAF1 310.4 Da LogP 0.10 TPSA 75.6 ✓ Ro5 ✓ Clean CCOCCOCCOCCOCCOCCOCCO
ANP
6JDO
Q9CKB3 506.2 Da LogP -2.06 TPSA 281.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
PG5
5F7Q
Q8YAF1 178.2 Da LogP 0.31 TPSA 36.9 ✓ Ro5 ✓ Clean COCCOCCOCCOC

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.