Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: KP13_04633
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE44107.1 sufA
Status: annotated
Amino acids: 125
Structure source: AlphaFold + ColabFold

GO

GO:0016226 The incorporation of iron and exogenous sulfur into a metallo-sulfur cluster. GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms. GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0051537 Binding to a 2 iron, 2 sulfur (2Fe-2S) cluster; this cluster consists of two iron atoms, with two inorganic sulfur atoms found between the irons and acting as bridging ligands.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 37.736
Human E-value: 9.439999999999999e-25
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 76.23
DEG E-value: 6.65e-71
Localization: Cytoplasmic
ColabFold pLDDT: 87.93

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 0.212

Structure A0A0H3GZD4

Pocket Pocket 2

P2Rank

Structure A0A0H3GZD4

Pocket No pockets

ColabFold model

FPocket 0.15 · Pocket 5

Core conservation Accessory gene

Roary core

CoreCruncher accessory

Gut microbiome 157 / 4744 genomes with a hit

Normalized 0.033

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

4

GO:0016226 The incorporation of iron and exogenous sulfur into a metallo-sulfur cluster.
GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms.
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0051537 Binding to a 2 iron, 2 sulfur (2Fe-2S) cluster; this cluster consists of two iron atoms, with two inorganic sulfur atoms found between the irons and acting as bridging ligands.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records

Show feature table

Start	End	DB	Term	Name
103	120	ProSitePatterns	PS01152	Hypothetical hesB/yadR/yfhF family signature.
103	120	InterPro	IPR017870	FeS cluster insertion, C-terminal, conserved site
17	122	Gene3D	G3DSA:2.60.300.12	-
17	122	InterPro	IPR035903	HesB-like domain superfamily
18	118	Pfam	PF01521	Iron-sulphur cluster biosynthesis
18	118	InterPro	IPR000361	FeS cluster biogenesis
17	122	NCBIfam	TIGR01997	Fe-S cluster assembly scaffold SufA
17	122	InterPro	IPR011298	FeS assembly scaffold SufA, proteobacteria
18	121	NCBIfam	TIGR00049	iron-sulfur cluster assembly accessory protein
18	121	InterPro	IPR016092	FeS cluster insertion protein
14	121	PANTHER	PTHR10072	IRON-SULFUR CLUSTER ASSEMBLY PROTEIN
18	111	SUPERFAMILY	SSF89360	HesB-like domain
18	111	InterPro	IPR035903	HesB-like domain superfamily

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_A0A0H3GZD4	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_04633	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
2				0.212

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
FES	1X0G	Q8DLM0	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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
4AX	P0ACC3	—	102.1 Da LogP -1.62 TPSA 64.3	✓ Ro5	✓ Clean	`C1[C@H](C(=O)NO1)N`

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_04633