Protein profile

VK055_5103

Putative UDP-glucoronosyl and UDP-glucosyl transferase

Genome: KpATCC43816

Gene: AIK83629.1 iroB Structure source: AlphaFold + ColabFold UniProt A4GZE8
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Amino acids 355
Annotations 3
Features 8
PDB binders 5
Druggability 0.979

Overview

Basic information about this protein and its source genome.

Accession
VK055_5103
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK83629.1 iroB
Status
annotated
Amino acids
355
Structure source
AlphaFold + ColabFold
GO
GO:0008194 Catalysis of the transfer of a glycosyl group from a UDP-sugar to a small hydrophobic molecule. GO:0016758 Catalysis of the transfer of a hexosyl group from one compound (donor) to another (acceptor). GO:0017000 The chemical reactions and pathways resulting in the formation of an antibiotic, a substance produced by or derived from certain fungi, bacteria, and other organisms, that can destroy or inhibit the growth of other microorganisms.

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 (%)
67.797
DEG E-value
1.88e-178
Localization
Cytoplasmic
ColabFold pLDDT
88.56

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 0.979
Structure A4GZE8
Pocket Pocket 16
P2Rank 0.982
Structure A4GZE8
Pocket Pocket 1
ColabFold model
FPocket 0.701 · Pocket 26
P2Rank 0.941 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 8 / 4744 genomes with a hit
Normalized 0.002

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3
  • GO:0008194 Catalysis of the transfer of a glycosyl group from a UDP-sugar to a small hydrophobic molecule.
  • GO:0016758 Catalysis of the transfer of a hexosyl group from one compound (donor) to another (acceptor).
  • GO:0017000 The chemical reactions and pathways resulting in the formation of an antibiotic, a substance produced by or derived from certain fungi, bacteria, and other organisms, that can destroy or inhibit the growth of other microorganisms.

Sequence Features

Domain/signature hits from InterPro and related databases.

8 records
Show feature table
Start End DB Term Name
181 336 Gene3D G3DSA:3.40.50.2000 Glycogen Phosphorylase B;
150 244 Pfam PF06722 Protein of unknown function (DUF1205)
150 244 InterPro IPR010610 Erythromycin biosynthesis protein CIII-like, central
1 345 Gene3D G3DSA:3.40.50.2000 Glycogen Phosphorylase B;
183 337 PANTHER PTHR48050 STEROL 3-BETA-GLUCOSYLTRANSFERASE
1 354 CDD cd03784 GT1_Gtf-like
1 354 InterPro IPR002213 UDP-glucuronosyl/UDP-glucosyltransferase
1 352 SUPERFAMILY SSF53756 UDP-Glycosyltransferase/glycogen phosphorylase

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

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_A4GZE8
AlphaFold — — full sequence — Viewing
ColabFold VK055_5103
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
16 0.979

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 37.15 0.957
2 2.66 0.078
3 1.81 0.034

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.

55 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
3R2
4RIF
Q9ZGC0 530.4 Da LogP -0.74 TPSA 227.1 3 viol. ✓ Clean C[C@H]1C[C@@H](C[C@H]([C@@H]1O)O)OP(=O)(O)OP(=O…
C0T
3OTI
Q8KND7 584.7 Da LogP 0.66 TPSA 166.8 3 viol. ✓ Clean CC1C(C(C(C(O1)OC2C#CC=CC#CC3(CC(=O)C(=C2C3=CCSS…
DUD
4AMB
Q9RN61 388.2 Da LogP -1.59 TPSA 197.6 ✓ Ro5 ✓ Clean C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O…
PE4
3D0R
Q8KND7 354.4 Da LogP 0.11 TPSA 84.8 ✓ Ro5 ✓ Clean CCOCCOCCOCCOCCOCCOCCOCCO
TYD
4G2T
D6MSX4 402.2 Da LogP -1.28 TPSA 197.6 ✓ Ro5 ✓ Clean CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@]…

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.