Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA3812
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA3812 iscA
Status: annotated
Amino acids: 107
Structure source: AlphaFold

GO

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. 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. GO:0046872 Binding to a metal ion. GO:0016226 The incorporation of iron and exogenous sulfur into a metallo-sulfur cluster. GO:0051604 Any process leading to the attainment of the full functional capacity of a protein.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 54.839
Human E-value: 7.1e-08
Gut microbiome off-target: hit
Essential (DEG): Y
Localization: Cytoplasmic

Selected Druggability evidence

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 0.277

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Gene Ontology (GO)

7

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
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.
GO:0046872 Binding to a metal ion.
GO:0016226 The incorporation of iron and exogenous sulfur into a metallo-sulfur cluster.
GO:0051604 Any process leading to the attainment of the full functional capacity of a protein.
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.

14 records

Show feature table

Start	End	DB	Term	Name
2	107	PANTHER	PTHR10072	IRON-SULFUR CLUSTER ASSEMBLY PROTEIN
2	107	FunFam	G3DSA:2.60.300.12:FF:000001	Iron-binding protein IscA
3	107	NCBIfam	TIGR02011	iron-sulfur cluster assembly protein IscA
3	107	InterPro	IPR011302	Iron-binding protein IscA, proteobacteria
2	107	Gene3D	G3DSA:2.60.300.12	-
2	107	InterPro	IPR035903	HesB-like domain superfamily
1	103	Pfam	PF01521	Iron-sulphur cluster biosynthesis
1	103	InterPro	IPR000361	FeS cluster biogenesis
88	105	ProSitePatterns	PS01152	Hypothetical hesB/yadR/yfhF family signature.
88	105	InterPro	IPR017870	FeS cluster insertion, C-terminal, conserved site
1	96	SUPERFAMILY	SSF89360	HesB-like domain
1	96	InterPro	IPR035903	HesB-like domain superfamily
3	107	NCBIfam	TIGR00049	iron-sulfur cluster assembly accessory protein
3	107	InterPro	IPR016092	FeS cluster insertion protein

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...

Legend High Medium Low

Structural evidence

0 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold PA3812	AlphaFold	—	—	full sequence	—	Viewing

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				0.277

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.

PA3812