Protein profile

KP13_31778

arginine repressor

Genome: KpKP13

Gene: AHE42437.1 argR Structure source: AlphaFold + ColabFold UniProt A0A0H3H3N7

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Amino acids 156

Annotations 5

Features 27

PDB binders 1

Druggability 0.395

Overview

Basic information about this protein and its source genome.

Accession: KP13_31778
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE42437.1 argR
Status: annotated
Amino acids: 156
Structure source: AlphaFold + ColabFold

GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription. GO:0006525 The chemical reactions and pathways involving arginine, 2-amino-5-(carbamimidamido)pentanoic acid. 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:0051259 The process of creating protein oligomers, compounds composed of a small number, usually between three and ten, of component monomers; protein oligomers may be composed of different or identical monomers. Oligomers may be formed by the polymerization of a number of monomers or the depolymerization of a large protein polymer. GO:0034618 Binding to 2-amino-5-(carbamimidamido)pentanoic acid.

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 (%): 94.231
DEG E-value: 3.92e-107
Localization: Cytoplasmic
ColabFold pLDDT: 87.45

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 0.395

Structure A0A0H3H3N7

Pocket Pocket 3

P2Rank

Structure A0A0H3H3N7

Pocket No pockets

ColabFold model

FPocket 0.37 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 147 / 4744 genomes with a hit

Normalized 0.031

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
GO:0006525 The chemical reactions and pathways involving arginine, 2-amino-5-(carbamimidamido)pentanoic acid.
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:0051259 The process of creating protein oligomers, compounds composed of a small number, usually between three and ten, of component monomers; protein oligomers may be composed of different or identical monomers. Oligomers may be formed by the polymerization of a number of monomers or the depolymerization of a large protein polymer.
GO:0034618 Binding to 2-amino-5-(carbamimidamido)pentanoic acid.

Sequence Features

Domain/signature hits from InterPro and related databases.

27 records

Show feature table

Start	End	DB	Term	Name
1	155	Hamap	MF_00173	Arginine repressor [argR].
1	155	InterPro	IPR001669	Arginine repressor
82	149	SUPERFAMILY	SSF55252	C-terminal domain of arginine repressor
82	149	InterPro	IPR036251	Arginine repressor, C-terminal domain superfamily
75	155	Gene3D	G3DSA:3.30.1360.40	-
3	77	SUPERFAMILY	SSF46785	Winged helix DNA-binding domain
3	77	InterPro	IPR036390	Winged helix DNA-binding domain superfamily
25	38	PRINTS	PR01467	Bacterial arginine repressor signature
25	38	InterPro	IPR001669	Arginine repressor
121	136	PRINTS	PR01467	Bacterial arginine repressor signature
121	136	InterPro	IPR001669	Arginine repressor
42	57	PRINTS	PR01467	Bacterial arginine repressor signature
42	57	InterPro	IPR001669	Arginine repressor
90	103	PRINTS	PR01467	Bacterial arginine repressor signature
90	103	InterPro	IPR001669	Arginine repressor
82	148	Pfam	PF02863	Arginine repressor, C-terminal domain
82	148	InterPro	IPR020899	Arginine repressor, C-terminal
5	74	Pfam	PF01316	Arginine repressor, DNA binding domain
5	74	InterPro	IPR020900	Arginine repressor, DNA-binding domain
9	151	NCBIfam	TIGR01529	arginine repressor
9	151	InterPro	IPR001669	Arginine repressor
1	74	Gene3D	G3DSA:1.10.10.10	-
1	74	InterPro	IPR036388	Winged helix-like DNA-binding domain superfamily
1	74	FunFam	G3DSA:1.10.10.10:FF:000074	Arginine repressor
75	155	FunFam	G3DSA:3.30.1360.40:FF:000004	Arginine repressor
5	153	PANTHER	PTHR34471	ARGININE REPRESSOR
5	153	InterPro	IPR001669	Arginine repressor

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_A0A0H3H3N7	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_31778	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
3				0.395
2				0.237

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				0.37

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.

51 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
GGB	3LAP	P9WPY9	176.2 Da LogP -1.80 TPSA 134.5	✓ Ro5	✓ Clean	`[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N`

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).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC403598	0.800	273.3 Da LogP 2.14 TPSA 92.8	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O`
ZINC403599	0.800	273.3 Da LogP 2.14 TPSA 92.8	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O`
ZINC34319489	0.688	231.3 Da LogP 1.50 TPSA 83.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc2cc(O)ccc2c1)C(=O)O`
ZINC34319490	0.688	231.3 Da LogP 1.50 TPSA 83.5	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc2cc(O)ccc2c1)C(=O)O`
ZINC2512061	0.677	360.4 Da LogP 0.67 TPSA 167.1	1 viol.	✓ Clean	`N[C@@H](Cc1ccc(O)c(-c2cc(C[C@H](N)C(=O)O)ccc2O)…`
ZINC6091882	0.677	360.4 Da LogP 0.67 TPSA 167.1	1 viol.	✓ Clean	`N[C@@H](Cc1ccc(O)c(-c2cc(C[C@@H](N)C(=O)O)ccc2O…`
ZINC6091894	0.677	360.4 Da LogP 0.67 TPSA 167.1	1 viol.	✓ Clean	`N[C@H](Cc1ccc(O)c(-c2cc(C[C@@H](N)C(=O)O)ccc2O)…`
ZINC1569734	0.667	238.2 Da LogP -0.54 TPSA 112.6	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O`
ZINC2505456	0.667	210.2 Da LogP 0.72 TPSA 94.8	✓ Ro5	✓ Clean	`O=C(O)C(Cc1ccc(O)cc1)C(=O)O`
ZINC2575475	0.667	238.2 Da LogP -0.54 TPSA 112.6	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O`
ZINC2004481	0.647	344.4 Da LogP 0.78 TPSA 132.9	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)…`
ZINC116924508	0.645	215.2 Da LogP 1.58 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(C(F)F)cc1)C(=O)O`
ZINC116924543	0.645	215.2 Da LogP 1.58 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(C(F)F)cc1)C(=O)O`
ZINC2385595	0.645	207.3 Da LogP 1.76 TPSA 63.3	✓ Ro5	✓ Clean	`CC(C)c1ccc(C[C@H](N)C(=O)O)cc1`
ZINC2392305	0.645	221.3 Da LogP 1.94 TPSA 63.3	✓ Ro5	✓ Clean	`CC(C)(C)c1ccc(C[C@H](N)C(=O)O)cc1`
ZINC2392306	0.645	221.3 Da LogP 1.94 TPSA 63.3	✓ Ro5	✓ Clean	`CC(C)(C)c1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC3679865	0.645	207.3 Da LogP 1.76 TPSA 63.3	✓ Ro5	✓ Clean	`CC(C)c1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC44283754	0.645	207.3 Da LogP 1.59 TPSA 63.3	✓ Ro5	✓ Clean	`CCCc1ccc(C[C@H](N)C(=O)O)cc1`
ZINC44283756	0.645	207.3 Da LogP 1.59 TPSA 63.3	✓ Ro5	✓ Clean	`CCCc1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC44284738	0.645	255.3 Da LogP 2.62 TPSA 63.3	✓ Ro5	✓ Clean	`Cc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)cc1`
ZINC44284740	0.645	255.3 Da LogP 2.62 TPSA 63.3	✓ Ro5	✓ Clean	`Cc1ccc(-c2ccc(C[C@@H](N)C(=O)O)cc2)cc1`
ZINC4763192	0.636	271.3 Da LogP 2.01 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1`
ZINC4763195	0.636	271.3 Da LogP 2.01 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1`
ZINC2566273	0.629	252.3 Da LogP -0.15 TPSA 112.7	✓ Ro5	✓ Clean	`C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O`
ZINC2566279	0.629	252.3 Da LogP -0.15 TPSA 112.6	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC(=O)O`
ZINC3590784	0.629	252.3 Da LogP -0.15 TPSA 112.7	✓ Ro5	✓ Clean	`C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O`
ZINC4787311	0.629	252.3 Da LogP -0.15 TPSA 112.7	✓ Ro5	✓ Clean	`C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)O`
ZINC4787313	0.629	252.3 Da LogP -0.15 TPSA 112.7	✓ Ro5	✓ Clean	`C[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)O`
ZINC113355299	0.625	203.2 Da LogP 0.82 TPSA 63.3	✓ Ro5	✓ Clean	`C#CCc1ccc(C[C@H](N)C(=O)O)cc1`
ZINC13650361	0.625	245.2 Da LogP -0.56 TPSA 120.9	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(P(=O)(O)O)cc1)C(=O)O`
ZINC13650362	0.625	245.2 Da LogP -0.56 TPSA 120.9	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(P(=O)(O)O)cc1)C(=O)O`
ZINC146629959	0.625	205.3 Da LogP 1.37 TPSA 63.3	✓ Ro5	✓ Clean	`C=CCc1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC1550959	0.625	259.2 Da LogP 0.32 TPSA 120.9	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(CP(=O)(O)O)cc1)C(=O)O`
ZINC1675144	0.625	208.3 Da LogP 0.71 TPSA 66.6	✓ Ro5	Alert	`CN(C)c1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC20112424	0.625	259.2 Da LogP 0.32 TPSA 120.9	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(CP(=O)(O)O)cc1)C(=O)O`
ZINC2047928	0.625	208.3 Da LogP 0.71 TPSA 66.6	✓ Ro5	Alert	`CN(C)c1ccc(C[C@H](N)C(=O)O)cc1`
ZINC2149429	0.625	233.2 Da LogP 1.66 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O`
ZINC2149431	0.625	233.2 Da LogP 1.66 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O`
ZINC2561081	0.625	269.3 Da LogP 1.87 TPSA 80.4	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O`
ZINC2561082	0.625	269.3 Da LogP 1.87 TPSA 80.4	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O`
ZINC2562493	0.625	245.3 Da LogP -0.11 TPSA 117.7	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(S(=O)(=O)O)cc1)C(=O)O`
ZINC2562494	0.625	245.3 Da LogP -0.11 TPSA 117.7	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(S(=O)(=O)O)cc1)C(=O)O`
ZINC3679853	0.625	211.3 Da LogP 1.36 TPSA 63.3	✓ Ro5	✓ Clean	`CSc1ccc(C[C@H](N)C(=O)O)cc1`
ZINC3679854	0.625	211.3 Da LogP 1.36 TPSA 63.3	✓ Ro5	✓ Clean	`CSc1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC44284603	0.625	275.7 Da LogP 2.96 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O`
ZINC44284605	0.625	275.7 Da LogP 2.96 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O`
ZINC44284607	0.625	259.3 Da LogP 2.45 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)O`
ZINC44284609	0.625	259.3 Da LogP 2.45 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)O`
ZINC53098690	0.625	209.2 Da LogP 0.83 TPSA 72.5	✓ Ro5	✓ Clean	`CCOC(=O)[C@@H](N)Cc1ccc(O)cc1`
ZINC54960048	0.625	209.2 Da LogP 0.83 TPSA 72.5	✓ Ro5	✓ Clean	`CCOC(=O)[C@H](N)Cc1ccc(O)cc1`

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.