Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: KP13_00844
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE43208.1 iscR
Status: annotated
Amino acids: 163
Structure source: AlphaFold + ColabFold

GO

GO:0003690 Binding to double-stranded DNA. GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription. GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons. 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.

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 (%): 93.865
DEG E-value: 1.19e-97
Localization: Unknown
ColabFold pLDDT: 92.66

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 0.096

Structure A0A0H3GW44

Pocket Pocket 1

P2Rank 0.009

Structure A0A0H3GW44

Pocket Pocket 1

ColabFold model

FPocket 0.251 · Pocket 10

P2Rank 0.003 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 228 / 4744 genomes with a hit

Normalized 0.048

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

6

GO:0003690 Binding to double-stranded DNA.
GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons.
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 Features

Domain/signature hits from InterPro and related databases.

19 records

Show feature table

Start	End	DB	Term	Name
2	131	ProSiteProfiles	PS51197	Rrf2-type HTH domain profile.
2	131	InterPro	IPR000944	Transcription regulator Rrf2
2	133	SUPERFAMILY	SSF46785	Winged helix DNA-binding domain
2	133	InterPro	IPR036390	Winged helix DNA-binding domain superfamily
1	142	PANTHER	PTHR33221	WINGED HELIX-TURN-HELIX TRANSCRIPTIONAL REGULATOR, RRF2 FAMILY
1	142	InterPro	IPR000944	Transcription regulator Rrf2
1	134	NCBIfam	TIGR02010	Fe-S cluster assembly transcriptional regulator IscR
1	134	InterPro	IPR010242	Transcription factor HTH, IscR
1	131	NCBIfam	TIGR00738	Rrf2 family transcriptional regulator
1	131	InterPro	IPR000944	Transcription regulator Rrf2
3	132	Pfam	PF02082	Iron-dependent Transcriptional regulator
3	132	InterPro	IPR000944	Transcription regulator Rrf2
1	163	Hamap	MF_01176	HTH-type transcriptional regulator IscR [iscR].
1	163	InterPro	IPR010242	Transcription factor HTH, IscR
1	144	Gene3D	G3DSA:1.10.10.10	-
1	144	InterPro	IPR036388	Winged helix-like DNA-binding domain superfamily
1	144	FunFam	G3DSA:1.10.10.10:FF:000026	HTH-type transcriptional regulator IscR
49	67	ProSitePatterns	PS01332	Rrf2-type HTH domain signature.
49	67	InterPro	IPR030489	Transcription regulator Rrf2-type, conserved site

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_A0A0H3GW44	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_00844	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
10				0.251

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	6HSD	F2RGC9	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.

KP13_00844