Protein profile

KP13_05535

putative D-allulose-6-phosphate 3-epimerase

Genome: KpKP13

Gene: AHE44541.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GXL9
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Amino acids 215
Annotations 6
Features 14
PDB binders 5
Druggability 0.376

Overview

Basic information about this protein and its source genome.

Accession
KP13_05535
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE44541.1
Status
annotated
Amino acids
215
Structure source
AlphaFold + ColabFold
EC
5.1.3.-
GO
GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y. GO:0034700 Catalysis of the reaction: D-allulose 6-phosphate = keto-D-fructose 6-phosphate. GO:0046872 Binding to a metal ion. GO:0016857 Catalysis of a reaction that alters the configuration of one or more chiral centers in a carbohydrate molecule. GO:0019316 The chemical reactions and pathways resulting in the breakdown of D-allose, the D-enantiomer of allo-hexose, an aldohexose similar to glucose.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
37.113
Human E-value
5.09e-15
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
50.99
DEG E-value
2.27e-74
Localization
Cytoplasmic
ColabFold pLDDT
96.87

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 0.376
Structure A0A0H3GXL9
Pocket Pocket 6
P2Rank 0.901
Structure A0A0H3GXL9
Pocket Pocket 1
ColabFold model
FPocket 0.338 · Pocket 1
P2Rank 0.972 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 64 / 4744 genomes with a hit
Normalized 0.013

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:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
  • GO:0034700 Catalysis of the reaction: D-allulose 6-phosphate = keto-D-fructose 6-phosphate.
  • GO:0046872 Binding to a metal ion.
  • GO:0016857 Catalysis of a reaction that alters the configuration of one or more chiral centers in a carbohydrate molecule.
  • GO:0019316 The chemical reactions and pathways resulting in the breakdown of D-allose, the D-enantiomer of allo-hexose, an aldohexose similar to glucose.

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records
Show feature table
Start End DB Term Name
2 207 SUPERFAMILY SSF51366 Ribulose-phoshate binding barrel
2 207 InterPro IPR011060 Ribulose-phosphate binding barrel
123 145 ProSitePatterns PS01086 Ribulose-phosphate 3-epimerase family signature 2.
123 145 InterPro IPR000056 Ribulose-phosphate 3-epimerase-like
1 214 Gene3D G3DSA:3.20.20.70 Aldolase class I
1 214 InterPro IPR013785 Aldolase-type TIM barrel
1 204 CDD cd00429 RPE
1 204 InterPro IPR000056 Ribulose-phosphate 3-epimerase-like
1 214 Hamap MF_02226 D-allulose-6-phosphate 3-epimerase [alsE].
1 214 InterPro IPR043677 D-allulose-6-phosphate 3-epimerase
2 192 PANTHER PTHR11749 RIBULOSE-5-PHOSPHATE-3-EPIMERASE
2 192 InterPro IPR000056 Ribulose-phosphate 3-epimerase-like
2 187 Pfam PF00834 Ribulose-phosphate 3 epimerase family
2 187 InterPro IPR000056 Ribulose-phosphate 3-epimerase-like

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_A0A0H3GXL9
AlphaFold — — full sequence — Viewing
ColabFold KP13_05535
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 0.376

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 19.44 0.839

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
5RP
3OVQ
Q96AT9 230.1 Da LogP -2.62 TPSA 144.5 ✓ Ro5 ✓ Clean C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O
5SP
3OVR
Q96AT9 230.1 Da LogP -2.62 TPSA 144.5 ✓ Ro5 ✓ Clean C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O
DX5
2FLI
Q9A1H8 232.1 Da LogP -2.83 TPSA 147.7 1 viol. ✓ Clean C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O
S6P
3CTL
P32719 262.2 Da LogP -3.47 TPSA 167.9 1 viol. ✓ Clean C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)…
XPE
3OVP
Q96AT9 458.5 Da LogP -0.88 TPSA 123.5 1 viol. ✓ Clean C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O

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.