Protein profile

VK055_1494

methylglyoxal synthase

Genome: KpATCC43816

Gene: mgsA AIK80114.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GV61
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Amino acids 152
Annotations 4
Features 22
PDB binders 3
Druggability 0.355

Overview

Basic information about this protein and its source genome.

Accession
VK055_1494
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
mgsA AIK80114.1
Status
annotated
Amino acids
152
Structure source
AlphaFold + ColabFold
EC
4.2.3.3
GO
GO:0019242 The chemical reactions and pathways resulting in the formation of methylglyoxal, CH3-CO-CHO, the aldehyde of pyruvic acid. GO:0008929 Catalysis of the reaction: glycerone phosphate = methylglyoxal + phosphate. GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.

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 (%)
88.816
DEG E-value
2.91e-100
Localization
Cytoplasmic
ColabFold pLDDT
97.48

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 0.355
Structure A0A0H3GV61
Pocket Pocket 2
P2Rank 0.341
Structure A0A0H3GV61
Pocket Pocket 1
ColabFold model
FPocket 0.302 · Pocket 3
P2Rank 0.517 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 443 / 4744 genomes with a hit
Normalized 0.093

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 3 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

3
  • GO:0019242 The chemical reactions and pathways resulting in the formation of methylglyoxal, CH3-CO-CHO, the aldehyde of pyruvic acid.
  • GO:0008929 Catalysis of the reaction: glycerone phosphate = methylglyoxal + phosphate.
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.

Sequence Features

Domain/signature hits from InterPro and related databases.

22 records
Show feature table
Start End DB Term Name
2 147 SUPERFAMILY SSF52335 Methylglyoxal synthase-like
2 147 InterPro IPR036914 Methylglyoxal synthase-like domain superfamily
25 118 SMART SM00851 MGS_2a
25 118 InterPro IPR011607 Methylglyoxal synthase-like domain
11 151 NCBIfam TIGR00160 methylglyoxal synthase
11 151 InterPro IPR004363 Methylglyoxal synthase
1 151 FunFam G3DSA:3.40.50.1380:FF:000002 Methylglyoxal synthase
12 131 Hamap MF_00549 Methylglyoxal synthase [mgsA].
12 131 InterPro IPR004363 Methylglyoxal synthase
11 151 PANTHER PTHR30492 METHYLGLYOXAL SYNTHASE
6 152 ProSiteProfiles PS51855 MGS-like domain profile.
6 152 InterPro IPR011607 Methylglyoxal synthase-like domain
8 151 PIRSF PIRSF006614 Methylglyox_syn
8 151 InterPro IPR004363 Methylglyoxal synthase
13 127 CDD cd01422 MGS
13 127 InterPro IPR004363 Methylglyoxal synthase
65 73 ProSitePatterns PS01335 Methylglyoxal synthase active site.
65 73 InterPro IPR018148 Methylglyoxal synthase, active site
1 151 Gene3D G3DSA:3.40.50.1380 -
1 151 InterPro IPR036914 Methylglyoxal synthase-like domain superfamily
26 118 Pfam PF02142 MGS-like domain
26 118 InterPro IPR011607 Methylglyoxal synthase-like domain

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_A0A0H3GV61
AlphaFold — — full sequence — Viewing
ColabFold VK055_1494
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
1 0.054
8 0.042
7 0.01
4 0.0

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 7.68 0.341
2 1.84 0.03
3 1.4 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.

3 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
MLI
2X8W
B3VH91 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=O)[O-]
PGA
1EGH
P0A731 156.0 Da LogP -0.82 TPSA 104.1 ✓ Ro5 ✓ Clean C(C(=O)O)OP(=O)(O)O
PGH
1IK4
P0A731 171.0 Da LogP -1.40 TPSA 116.1 ✓ Ro5 ✓ Clean C(C(=O)NO)OP(=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.