Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: KP13_03841
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: eutS AHE43325.1
Status: annotated
Amino acids: 121
Structure source: AlphaFold + ColabFold

GO

GO:0031469 An organelle found in bacteria consisting of a proteinaceous coat containing metabolic enzymes whose purpose is the sequestration or concentration of metabolites and which has the appearance of a polygonal granule by electron microscopy.

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 (%): 92.793
DEG E-value: 1.64e-72
Localization: Cytoplasmic
ColabFold pLDDT: 93.29

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

Structure A0A0H3H1B6

Pocket No pockets

P2Rank

Structure A0A0H3H1B6

Pocket No pockets

ColabFold model

FPocket 0.117 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 275 / 4744 genomes with a hit

Normalized 0.058

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

1

GO:0031469 An organelle found in bacteria consisting of a proteinaceous coat containing metabolic enzymes whose purpose is the sequestration or concentration of metabolites and which has the appearance of a polygonal granule by electron microscopy.

Sequence Features

Domain/signature hits from InterPro and related databases.

17 records

Show feature table

Start	End	DB	Term	Name
14	121	CDD	cd07046	BMC_PduU-EutS
14	121	InterPro	IPR009307	Bacterial microcompartment shell protein EutS/PduU/CutR
11	121	FunFam	G3DSA:3.30.70.1710:FF:000002	Ethanolamine utilization protein EutS
7	121	PIRSF	PIRSF012296	EutS_PduU
7	121	InterPro	IPR009307	Bacterial microcompartment shell protein EutS/PduU/CutR
50	102	Pfam	PF00936	BMC domain
50	102	InterPro	IPR000249	Bacterial microcompartment domain
49	121	SMART	SM00877	BMC_2
49	121	InterPro	IPR000249	Bacterial microcompartment domain
11	121	Gene3D	G3DSA:3.30.70.1710	-
11	121	InterPro	IPR037233	CcmK-like superfamily
11	121	PANTHER	PTHR40449	ETHANOLAMINE UTILIZATION PROTEIN EUTS
11	121	InterPro	IPR009307	Bacterial microcompartment shell protein EutS/PduU/CutR
15	113	ProSiteProfiles	PS51931	Bacterial microcompartment (BMC) circularly permuted domain profile.
15	113	InterPro	IPR044870	Bacterial microcompartment (BMC) circularly permuted domain
49	116	SUPERFAMILY	SSF143414	CcmK-like
49	116	InterPro	IPR037233	CcmK-like superfamily

3D Structure

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

No pockets are loaded yet for the displayed AlphaFold model AF_A0A0H3H1B6 structure. Run experimental pocket backfill to show FPocket/P2Rank overlays on this structure.

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_A0A0H3H1B6	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_03841	ColabFold	—	—	full sequence	—	Loaded

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.

16 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
NHE	3I96	P63746	207.3 Da LogP 0.80 TPSA 66.4	✓ Ro5	✓ Clean	`C1CCC(CC1)NCCS(=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).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC1710230	1.000	207.3 Da LogP 0.80 TPSA 66.4	✓ Ro5	✓ Clean	`O=S(=O)(O)CCNC1CCCCC1`
ZINC2004372	0.786	221.3 Da LogP 1.19 TPSA 66.4	✓ Ro5	✓ Clean	`O=S(=O)(O)CCCNC1CCCCC1`
ZINC38364153	0.786	235.3 Da LogP 1.58 TPSA 66.4	✓ Ro5	✓ Clean	`O=S(=O)(O)CCCCNC1CCCCC1`
ZINC19367005	0.560	224.4 Da LogP 2.83 TPSA 24.1	✓ Ro5	✓ Clean	`C1CCC(NCCNC2CCCCC2)CC1`
ZINC26468763	0.559	243.3 Da LogP -1.35 TPSA 100.5	✓ Ro5	✓ Clean	`O=S(=O)(O)CCN[C@@H]1CCS(=O)(=O)C1`
ZINC26468770	0.559	243.3 Da LogP -1.35 TPSA 100.5	✓ Ro5	✓ Clean	`O=S(=O)(O)CCN[C@H]1CCS(=O)(=O)C1`
ZINC5188799	0.556	280.5 Da LogP 4.39 TPSA 24.1	✓ Ro5	✓ Clean	`C(CCCNC1CCCCC1)CCNC1CCCCC1`
ZINC2168583	0.529	237.3 Da LogP 0.16 TPSA 86.6	✓ Ro5	✓ Clean	`O=S(=O)(O)C[C@@H](O)CNC1CCCCC1`
ZINC2168584	0.529	237.3 Da LogP 0.16 TPSA 86.6	✓ Ro5	✓ Clean	`O=S(=O)(O)C[C@H](O)CNC1CCCCC1`
ZINC130127586	0.515	260.4 Da LogP 1.38 TPSA 58.2	✓ Ro5	✓ Clean	`O=S(=O)(NCCNC1CCCCCC1)C1CC1`
ZINC78421079	0.515	210.3 Da LogP 1.43 TPSA 41.1	✓ Ro5	✓ Clean	`O=C(NCCNC1CCCCC1)C1CC1`
ZINC122239480	0.500	238.4 Da LogP 2.22 TPSA 41.1	✓ Ro5	✓ Clean	`O=C(NCCNC1CCCCCC1)C1CCC1`
ZINC165485	0.500	301.8 Da LogP 3.04 TPSA 46.2	✓ Ro5	✓ Clean	`O=S(=O)(CCNC1CCCCC1)c1ccc(Cl)cc1`
ZINC38889906	0.500	226.4 Da LogP 3.21 TPSA 38.0	✓ Ro5	✓ Clean	`NCCNC1CCCCCCCCCCC1`
ZINC60934954	0.500	315.9 Da LogP 3.43 TPSA 46.2	✓ Ro5	✓ Clean	`O=S(=O)(CCNC1CCCCCC1)c1ccc(Cl)cc1`

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_03841