Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: VK055_4640
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: AIK83174.1
Status: annotated
Amino acids: 128
Structure source: AlphaFold + ColabFold

GO

GO:0016226 The incorporation of iron and exogenous sulfur into a metallo-sulfur cluster. GO:0005506 Binding to an iron (Fe) ion. GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 75.397
Human E-value: 2.18e-69
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 97.656
DEG E-value: 1.7e-90
Localization: Cytoplasmic
ColabFold pLDDT: 82.61

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 0.181

Structure A0A0H3GRP4

Pocket Pocket 3

P2Rank 0.008

Structure A0A0H3GRP4

Pocket Pocket 1

ColabFold model

FPocket 0.304 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 1526 / 4744 genomes with a hit

Normalized 0.322

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3

GO:0016226 The incorporation of iron and exogenous sulfur into a metallo-sulfur cluster.
GO:0005506 Binding to an iron (Fe) ion.
GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms.

Sequence Features

Domain/signature hits from InterPro and related databases.

11 records

Show feature table

Start	End	DB	Term	Name
3	117	CDD	cd06664	IscU_like
3	117	InterPro	IPR002871	NIF system FeS cluster assembly, NifU, N-terminal
1	128	Gene3D	G3DSA:3.90.1010.10	-
2	127	PANTHER	PTHR10093	IRON-SULFUR CLUSTER ASSEMBLY ENZYME NIFU HOMOLOG
2	127	InterPro	IPR002871	NIF system FeS cluster assembly, NifU, N-terminal
1	128	FunFam	G3DSA:3.90.1010.10:FF:000001	Iron-sulfur cluster assembly scaffold protein IscU
3	126	NCBIfam	TIGR01999	Fe-S cluster assembly scaffold IscU
3	126	InterPro	IPR011339	Iron-sulfur cluster assembly scaffold protein IscU
2	126	Pfam	PF01592	NifU-like N terminal domain
2	126	InterPro	IPR002871	NIF system FeS cluster assembly, NifU, N-terminal
1	125	SUPERFAMILY	SSF82649	SufE/NifU

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_A0A0H3GRP4	AlphaFold	—	—	full sequence	—	Viewing
ColabFold VK055_4640	ColabFold	—	—	full sequence	—	Loaded

Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

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				1.62	0.026

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				0.304

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.

1 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
FES	7C8M	A0B757	175.8 Da LogP 1.29 TPSA 0.0	✓ Ro5	✓ Clean	`S1[Fe]S[Fe]1`

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.

VK055_4640