Protein target profile

KP13_32212

Iron-binding protein iscA

Genome: KpKP13 Gene: iscA AHE43211.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3H1H5
Length 107
Pocket druggability 0.014
Direct ligand evidence 0 2 total records
Functional annotation 0 EC 5 GO
Target summary

Target candidate with partial support; inspect missing evidence before prioritizing.

Automated synthesis of the evidence currently loaded. Review the underlying records before prioritizing this protein.

Terms and data sources used on this page

PDB: experimentally determined structures from the Protein Data Bank. These are the strongest structural evidence, but may cover only part of the protein.

AlphaFold DB model: a precomputed predicted structure downloaded from AlphaFold Database/UniProt, not an experiment performed here.

ColabFold model: a predicted structure generated for this workspace; interpret it with coverage and confidence.

pLDDT: confidence score for predicted structures. High values support local geometry; low values mean the region should not drive pocket interpretation.

FPocket / P2Rank: software tools that predict possible ligand-binding pockets on a 3D structure. They are useful screening signals, not experimental validation.

Druggability: a pocket-based estimate of whether a small molecule could bind productively. It does not mean a drug already exists.

PDB ligand: a compound observed in an experimental structure. Direct same-protein records are stronger than homolog-transferred records.

ChEMBL: a public database of measured compound bioactivity. Direct entries are stronger than entries transferred from similar proteins.

ZINC: a purchasable-compound database. Here it marks proposed candidates from chemical similarity, not measured binders.

LigQ / LigQ_2: an internal Target pipeline step that gathers PDB, ChEMBL, and ZINC ligand evidence for each protein.

Off-target: sequence similarity to proteins we prefer not to hit, such as human proteins or beneficial gut microbiome proteins.

DEG: Database of Essential Genes. A match suggests the protein resembles genes known to be essential in other organisms.

Roary / CoreCruncher: pan-genome tools used to decide whether a gene is core across analyzed strains or accessory/strain-specific.

EC / GO: functional annotations: EC describes enzyme reactions; GO describes biological process, molecular function, or cellular component.

KEGG pathway: a curated metabolic route label used here to group reactions imported from the metabolic model.

Chokepoint: a metabolic reaction that is the only producer or consumer of a metabolite in the imported model.

Prioritization evidence

Selectivity, essentiality, structural confidence, conservation, and predicted binding-site evidence.

Off-target risk

Human off-target
Hit
Human identity (%)
54.839 Lower values reduce human off-target concern.
Human E-value
7.79e-07
Gut microbiome similarity
5.2% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
94.393 Higher values support similarity to known essential genes.
DEG E-value
4.77e-71 Smaller values mean stronger essential-gene similarity.

Localization

Localization
Cytoplasmic

Structure confidence

ColabFold pLDDT
93.8 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

AlphaFold DB / UniProt model

The selected pocket score is the FPocket value used for ranking after applying the curated structure priority. It estimates small-molecule pocket quality; it is not experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.

FPocket 0.014
Structure A0A0H3H1H5
Pocket Pocket 1
P2Rank 0.029
Structure A0A0H3H1H5
Pocket Pocket 1
ColabFold model
FPocket 0.287 · Pocket 2
P2Rank 0.028 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 246 / 4744 genomes with a hit
Prevalence 5.2%

Cross-references

External database identifiers for this protein, its structures, ligands, and metabolic reactions.

Sequence

Primary amino-acid sequence viewer.

MSITLSDSAAARVNAFLANRGKGFGLRLGVRTSGCSGMAYVLEFVDEPAAEDTVFEDKGVKVVIDGKSLQFLDGTQLDFVKEGLNEGFKFTNPNVKDECGCGESFNV

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5
  • 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.
  • GO:0005506 Binding to an iron (Fe) ion.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

16 records
Show feature table
Start End DB Term Name
3 107 PANTHER PTHR10072 IRON-SULFUR CLUSTER ASSEMBLY PROTEIN
1 103 Pfam PF01521 Iron-sulphur cluster biosynthesis
1 103 InterPro IPR000361 FeS cluster biogenesis
3 107 NCBIfam TIGR00049 iron-sulfur cluster assembly accessory protein
3 107 InterPro IPR016092 FeS cluster insertion protein
1 96 SUPERFAMILY SSF89360 HesB-like domain
1 96 InterPro IPR035903 HesB-like domain superfamily
88 105 ProSitePatterns PS01152 Hypothetical hesB/yadR/yfhF family signature.
88 105 InterPro IPR017870 FeS cluster insertion, C-terminal, conserved site
2 107 Gene3D G3DSA:2.60.300.12 -
2 107 InterPro IPR035903 HesB-like domain superfamily
3 107 NCBIfam TIGR02011 iron-sulfur cluster assembly protein IscA
3 107 InterPro IPR011302 Iron-binding protein IscA, proteobacteria
1 107 Hamap MF_01429 Iron-binding protein IscA [iscA].
1 107 InterPro IPR011302 Iron-binding protein IscA, proteobacteria
2 107 FunFam G3DSA:2.60.300.12:FF:000001 Iron-binding protein IscA

3D structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; AlphaFold DB and ColabFold models typically cover the full protein but remain computational predictions.

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Pocket score High Medium Low
How colors and pocket overlays are used
Uniform protein color marks the displayed model as a single molecular object.
Experimental PDB structures may be colored by chain to distinguish subunits or copies present in the file.
Pocket colors and alpha spheres are evidence overlays for predicted binding cavities; they are not alternative protein chains.
'Alpha spheres' is FPocket's own cavity-shape geometry, imported when available and aligned with the loaded structure.
'Pocket atoms'/'Predicted site atoms' show the pocket's residue atoms instead: P2Rank reports residues rather than alpha spheres, and FPocket falls back to this when alpha-sphere geometry is unavailable or doesn't align.
'No pocket geometry' means neither alpha spheres nor residue-position data could be found for that pocket; the layer just highlights the same residues as 'Nearby residues'.
Pocket details Inspect a specific pocket, or open the full viewer

Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1
0.029
Show in viewer
Surrounding area
Residue sets
UniProt: Binding site:101-101
UniProt: Binding site:35-35
UniProt: Binding site:99-99
All structural evidence 0 experimental · 2 predicted

Structural evidence

0 + 2

Experimental PDB entries plus predicted AlphaFold DB or ColabFold models. Click Switch to display a different loaded structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
AlphaFold DB AF_A0A0H3H1H5
AlphaFold DB full sequence Viewing
ColabFold KP13_32212
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.

2 records
Chemistry signal

Structural and bioactivity evidence are both available for this target.

Direct evidence 0 same-protein records
Transferred evidence 2 records from similar proteins
Structural ligands 1 0 loaded crystals
Measured bioactivity 1 direct and transferred ChEMBL records
Proposed compounds 0 similarity-based ZINC candidates
Best available ligand signal
FES PDB via homolog 175.8 Da · LogP 1.29 · TPSA 0.0 Open detail RCSB PDB
4AX ChEMBL via homolog Detail ChEMBL

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.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
FES RCSB PDB Q8DLM0 175.8 Da LogP 1.29 TPSA 0.0 ✓ Ro5 ✓ Clean S1[Fe]S[Fe]1

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.