Protein profile

KP13_05204

putative oxidoreductase

Genome: KpKP13

Gene: AHE44608.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GNC1
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Amino acids 291
Annotations 4
Features 21
PDB binders 10
Druggability 0.917

Overview

Basic information about this protein and its source genome.

Accession
KP13_05204
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE44608.1
Status
annotated
Amino acids
291
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:0050661 Binding to nicotinamide-adenine dinucleotide phosphate, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NADP+, or the reduced form, NADPH. GO:0051287 Binding to nicotinamide adenine dinucleotide, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NAD+, or the reduced form, NADH. GO:0016616 Catalysis of an oxidation-reduction (redox) reaction in which a CH-OH group acts as a hydrogen or electron donor and reduces NAD+ or NADP.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
29.021
Human E-value
2.3e-32
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Periplasmic
ColabFold pLDDT
96.72

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 0.917
Structure A0A0H3GNC1
Pocket Pocket 7
P2Rank 0.915
Structure A0A0H3GNC1
Pocket Pocket 1
ColabFold model
FPocket 0.703 · Pocket 10
P2Rank 0.904 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 18 / 4744 genomes with a hit
Normalized 0.004

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

4
  • 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:0050661 Binding to nicotinamide-adenine dinucleotide phosphate, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NADP+, or the reduced form, NADPH.
  • GO:0051287 Binding to nicotinamide adenine dinucleotide, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NAD+, or the reduced form, NADH.
  • GO:0016616 Catalysis of an oxidation-reduction (redox) reaction in which a CH-OH group acts as a hydrogen or electron donor and reduces NAD+ or NADP.

Sequence Features

Domain/signature hits from InterPro and related databases.

21 records
Show feature table
Start End DB Term Name
16 20 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
1 20 Phobius SIGNAL_PEPTIDE Signal peptide region
1 20 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
166 290 Gene3D G3DSA:1.10.1040.10 -
166 290 InterPro IPR013328 6-phosphogluconate dehydrogenase, domain 2
21 291 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 291 PIRSF PIRSF000103 HIBADH
1 291 InterPro IPR015815 3-hydroxyisobutyrate dehydrogenase-related
6 162 Pfam PF03446 NAD binding domain of 6-phosphogluconate dehydrogenase
6 162 InterPro IPR006115 6-phosphogluconate dehydrogenase, NADP-binding
1 6 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
4 284 PANTHER PTHR43580 OXIDOREDUCTASE GLYR1-RELATED
6 165 SUPERFAMILY SSF51735 NAD(P)-binding Rossmann-fold domains
6 165 InterPro IPR036291 NAD(P)-binding domain superfamily
167 285 Pfam PF14833 NAD-binding of NADP-dependent 3-hydroxyisobutyrate dehydrogenase
167 285 InterPro IPR029154 3-hydroxyisobutyrate dehydrogenase-like, NAD-binding domain
7 15 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
1 20 SignalP_GRAM_NEGATIVE SignalP-noTM SignalP-noTM
165 286 SUPERFAMILY SSF48179 6-phosphogluconate dehydrogenase C-terminal domain-like
165 286 InterPro IPR008927 6-phosphogluconate dehydrogenase-like, C-terminal domain superfamily
1 164 Gene3D G3DSA:3.40.50.720 -

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_A0A0H3GNC1
AlphaFold — — full sequence — Viewing
ColabFold KP13_05204
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
7 0.917

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 18.62 0.826

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.

60 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
3OH
5Y8O
P9WNY5 90.1 Da LogP -0.55 TPSA 57.5 ✓ Ro5 ✓ Clean C(CO)C(=O)O
9ON
5Y8L
P9WNY5 146.1 Da LogP 0.57 TPSA 74.6 ✓ Ro5 ✓ Clean C[C@@H](CCC(=O)O)C(=O)O
AKR
5Y8M
P9WNY5 72.1 Da LogP 0.26 TPSA 37.3 ✓ Ro5 ✓ Clean C=CC(=O)O
BO3
6SM7
P0A9V8 61.8 Da LogP -2.05 TPSA 60.7 ✓ Ro5 ✓ Clean B(O)(O)O
HIU
5Y8M
P9WNY5 104.1 Da LogP -0.30 TPSA 57.5 ✓ Ro5 ✓ Clean C[C@H](CO)C(=O)O
HUI
5Y8L
P9WNY5 104.1 Da LogP -0.30 TPSA 57.5 ✓ Ro5 ✓ Clean C[C@@H](CO)C(=O)O
LLQ
6SMY
P0A9V8 156.2 Da LogP -1.77 TPSA 94.8 ✓ Ro5 ✓ Clean C([C@@H](CS(=O)(=O)O)O)O
LW7
6JIT
D3Q3R0 235.3 Da LogP 3.66 TPSA 12.4 ✓ Ro5 ✓ Clean c1ccc(cc1)CCC2=NCCc3c2cccc3
LW9
6JIZ
D3Q3R0 128.3 Da LogP 3.61 TPSA 0.0 ✓ Ro5 ✓ Clean CCCCC(CC)CC
TLA
5XVH
A3MU08 150.1 Da LogP -2.12 TPSA 115.1 ✓ Ro5 ✓ Clean [C@@H]([C@H](C(=O)O)O)(C(=O)O)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.