Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: KP13_03374
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: mtnB AHE45753.1
Status: annotated
Amino acids: 202
Structure source: AlphaFold + ColabFold

EC

4.2.1.109

GO

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0046872 Binding to a metal ion. GO:0019509 OBSOLETE. The generation of L-methionine (2-amino-4-(methylthio)butanoic acid) from methylthioadenosine. GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0016832 Catalysis of the cleavage of a C-C bond in a molecule containing a hydroxyl group and a carbonyl group to form two smaller molecules, each being an aldehyde or a ketone. GO:0046570 Catalysis of the reaction: S-methyl-5-thio-D-ribulose 1-phosphate = 5-(methylthio)-2,3-dioxopentyl phosphate + H2O.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 24.737
Human E-value: 2.37e-10
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: Cytoplasmic
ColabFold pLDDT: 93.88

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 0.583

Structure A0A0H3GJW4

Pocket Pocket 4

P2Rank 0.132

Structure A0A0H3GJW4

Pocket Pocket 1

ColabFold model

FPocket 0.179 · Pocket 8

P2Rank 0.018 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

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 8 GO

Enzyme Commission (EC)

1

4.2.1.109

Gene Ontology (GO)

8

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0046872 Binding to a metal ion.
GO:0019509 OBSOLETE. The generation of L-methionine (2-amino-4-(methylthio)butanoic acid) from methylthioadenosine.
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0016832 Catalysis of the cleavage of a C-C bond in a molecule containing a hydroxyl group and a carbonyl group to form two smaller molecules, each being an aldehyde or a ketone.
GO:0046570 Catalysis of the reaction: S-methyl-5-thio-D-ribulose 1-phosphate = 5-(methylthio)-2,3-dioxopentyl phosphate + H2O.
GO:0008270 Binding to a zinc ion (Zn).
GO:0019323 The chemical reactions and pathways resulting in the breakdown of a pentose, any monosaccharide with a chain of five carbon atoms in the molecule.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records

Show feature table

Start	End	DB	Term	Name
2	198	PANTHER	PTHR22789	FUCULOSE PHOSPHATE ALDOLASE
2	197	SUPERFAMILY	SSF53639	AraD/HMP-PK domain-like
2	197	InterPro	IPR036409	Class II aldolase/adducin N-terminal domain superfamily
9	199	NCBIfam	TIGR03328	methylthioribulose 1-phosphate dehydratase
9	199	InterPro	IPR017714	Methylthioribulose-1-phosphate dehydratase
8	194	Pfam	PF00596	Class II Aldolase and Adducin N-terminal domain
8	194	InterPro	IPR001303	Class II aldolase/adducin N-terminal
1	198	Gene3D	G3DSA:3.40.225.10	-
1	198	InterPro	IPR036409	Class II aldolase/adducin N-terminal domain superfamily
7	195	SMART	SM01007	Aldolase_II_2
7	195	InterPro	IPR001303	Class II aldolase/adducin N-terminal
1	202	Hamap	MF_01677	Methylthioribulose-1-phosphate dehydratase [mtnB].
1	202	InterPro	IPR017714	Methylthioribulose-1-phosphate dehydratase

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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_A0A0H3GJW4	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_03374	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
4				0.583

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				1.35	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.

2 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

No PDB structure with a co-crystallized ligand found for this exact protein.

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.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
13P	1E47	P0AB87	170.1 Da LogP -1.34 TPSA 104.1	✓ Ro5	✓ Clean	`C(C(=O)COP(=O)(O)O)O`
PGH	4FUA	P0AB87	171.0 Da LogP -1.40 TPSA 116.1	✓ Ro5	✓ Clean	`C(C(=O)NO)OP(=O)(O)O`

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL bioactivity data found for this exact protein.

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL hits found through similar proteins.

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

No virtual-screening candidates for this protein.

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.

KP13_03374