Protein profile

KP13_01072

2-hydroxy-3-oxopropionate reductase

Genome: KpKP13

Gene: AHE42535.1 garR Structure source: AlphaFold + ColabFold UniProt A0A0H3GTL6
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Amino acids 302
Annotations 7
Features 22
PDB binders 9
Druggability 0.239

Overview

Basic information about this protein and its source genome.

Accession
KP13_01072
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE42535.1 garR
Status
annotated
Amino acids
302
Structure source
AlphaFold + ColabFold
EC
1.1.1.60
GO
GO:0008679 Catalysis of the reaction: (R)-glycerate + NADP+ = 2-hydroxy-3-oxopropanoate + NADPH + H+. 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: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:0046487 The chemical reactions and pathways involving glyoxylate, the anion of glyoxylic acid, HOC-COOH. GO:0046392 The chemical reactions and pathways resulting in the breakdown of D-galactarate, the anion of galactaric acid.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
36.842
Human E-value
1.11e-26
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Cytoplasmic
ColabFold pLDDT
96.56

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 0.239
Structure A0A0H3GTL6
Pocket Pocket 9
P2Rank 0.907
Structure A0A0H3GTL6
Pocket Pocket 1
ColabFold model
FPocket 0.789 · Pocket 13
P2Rank 0.927 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 283 / 4744 genomes with a hit
Normalized 0.06

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

6
  • GO:0008679 Catalysis of the reaction: (R)-glycerate + NADP+ = 2-hydroxy-3-oxopropanoate + NADPH + H+.
  • 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: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:0046487 The chemical reactions and pathways involving glyoxylate, the anion of glyoxylic acid, HOC-COOH.
  • GO:0046392 The chemical reactions and pathways resulting in the breakdown of D-galactarate, the anion of galactaric acid.

Sequence Features

Domain/signature hits from InterPro and related databases.

22 records
Show feature table
Start End DB Term Name
9 170 SUPERFAMILY SSF51735 NAD(P)-binding Rossmann-fold domains
9 170 InterPro IPR036291 NAD(P)-binding domain superfamily
13 26 ProSitePatterns PS00895 3-hydroxyisobutyrate dehydrogenase signature.
13 26 InterPro IPR002204 3-hydroxyisobutyrate dehydrogenase-related, conserved site
172 302 FunFam G3DSA:1.10.1040.10:FF:000008 2-hydroxy-3-oxopropionate reductase
5 171 Gene3D G3DSA:3.40.50.720 -
10 300 NCBIfam TIGR01505 2-hydroxy-3-oxopropionate reductase
10 300 InterPro IPR006398 2-hydroxy-3-oxopropionate reductase
172 289 Pfam PF14833 NAD-binding of NADP-dependent 3-hydroxyisobutyrate dehydrogenase
172 289 InterPro IPR029154 3-hydroxyisobutyrate dehydrogenase-like, NAD-binding domain
7 300 PANTHER PTHR43060 3-HYDROXYISOBUTYRATE DEHYDROGENASE-LIKE 1, MITOCHONDRIAL-RELATED
7 171 FunFam G3DSA:3.40.50.720:FF:000071 2-hydroxy-3-oxopropionate reductase
10 169 Pfam PF03446 NAD binding domain of 6-phosphogluconate dehydrogenase
10 169 InterPro IPR006115 6-phosphogluconate dehydrogenase, NADP-binding
9 302 Hamap MF_02032 2-hydroxy-3-oxopropionate reductase [garR].
9 302 InterPro IPR006398 2-hydroxy-3-oxopropionate reductase
3 301 PIRSF PIRSF000103 HIBADH
3 301 InterPro IPR015815 3-hydroxyisobutyrate dehydrogenase-related
170 299 SUPERFAMILY SSF48179 6-phosphogluconate dehydrogenase C-terminal domain-like
170 299 InterPro IPR008927 6-phosphogluconate dehydrogenase-like, C-terminal domain superfamily
172 302 Gene3D G3DSA:1.10.1040.10 -
172 302 InterPro IPR013328 6-phosphogluconate dehydrogenase, domain 2

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_A0A0H3GTL6
AlphaFold — — full sequence — Viewing
ColabFold KP13_01072
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
9 0.239

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 19.69 0.843
2 1.57 0.024

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.

59 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
7VD
5U5G
I6R485 138.1 Da LogP -0.25 TPSA 74.6 ✓ Ro5 ✓ Clean CC(=O)CP(=O)(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
TLA
1VPD
Q8ZLV8 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.