Protein profile

KP13_03752

putative oxidoreductase

Genome: KpKP13

Gene: AHE43375.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GWF5
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Amino acids 318
Annotations 2
Features 16
PDB binders 6
Druggability 0.389

Overview

Basic information about this protein and its source genome.

Accession
KP13_03752
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE43375.1
Status
annotated
Amino acids
318
Structure source
AlphaFold + ColabFold
GO
GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced. GO:0051596 The chemical reactions and pathways resulting in the breakdown of methylglyoxal, CH3-CO-CHO, the aldehyde of pyruvic acid.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
40.741
Human E-value
1.54e-06
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
80.063
DEG E-value
0.0
Localization
Cytoplasmic
ColabFold pLDDT
96.32

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 0.389
Structure A0A0H3GWF5
Pocket Pocket 6
P2Rank 0.981
Structure A0A0H3GWF5
Pocket Pocket 1
ColabFold model
FPocket 0.497 · Pocket 18
P2Rank 0.978 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 1047 / 4744 genomes with a hit
Normalized 0.221

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

2
  • GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.
  • GO:0051596 The chemical reactions and pathways resulting in the breakdown of methylglyoxal, CH3-CO-CHO, the aldehyde of pyruvic acid.

Sequence Features

Domain/signature hits from InterPro and related databases.

16 records
Show feature table
Start End DB Term Name
16 315 Pfam PF00248 Aldo/keto reductase family
16 315 InterPro IPR023210 NADP-dependent oxidoreductase domain
2 310 CDD cd19151 AKR_AKR14A2
248 268 Coils Coil Coil
1 316 PANTHER PTHR43150 HYPERKINETIC, ISOFORM M
1 316 InterPro IPR005399 Potassium channel, voltage-dependent, beta subunit, KCNAB-related
3 317 Gene3D G3DSA:3.20.20.100 -
3 317 InterPro IPR036812 NADP-dependent oxidoreductase domain superfamily
1 315 SUPERFAMILY SSF51430 NAD(P)-linked oxidoreductase
1 315 InterPro IPR036812 NADP-dependent oxidoreductase domain superfamily
258 270 PRINTS PR01577 KCNAB voltage-gated K+ channel beta subunit family signature
258 270 InterPro IPR005399 Potassium channel, voltage-dependent, beta subunit, KCNAB-related
271 284 PRINTS PR01577 KCNAB voltage-gated K+ channel beta subunit family signature
271 284 InterPro IPR005399 Potassium channel, voltage-dependent, beta subunit, KCNAB-related
114 124 PRINTS PR01577 KCNAB voltage-gated K+ channel beta subunit family signature
114 124 InterPro IPR005399 Potassium channel, voltage-dependent, beta subunit, KCNAB-related

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_A0A0H3GWF5
AlphaFold — — full sequence — Viewing
ColabFold KP13_03752
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 0.389

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 35.47 0.953
2 1.34 0.015

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.

56 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
ATR
3V0S
Q3L181 507.2 Da LogP -1.63 TPSA 279.1 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
CAC
3ERP
Q8ZNA1 137.0 Da LogP -0.52 TPSA 40.1 ✓ Ro5 ✓ Clean C[As](=O)(C)[O-]
EPR
6KIY
Q9X265 319.4 Da LogP 2.92 TPSA 57.6 ✓ Ro5 Alert C/C(=C\c1ccccc1)/C=C2C(=O)N(C(=S)S2)CC(=O)O
FLC
4AUB
Q46851 189.1 Da LogP -5.25 TPSA 140.6 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
PDN
3EB3
P62483 358.4 Da LogP 3.16 TPSA 94.8 ✓ Ro5 ✓ Clean C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)…
TOL
6KIK
Q9X265 357.4 Da LogP 3.56 TPSA 49.8 ✓ Ro5 ✓ Clean CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC

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.