Protein target profile

KP13_00014

Regulatory protein asnC

Genome: KpKP13 Gene: AHE47125.1 asnC 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GG41

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Length 152

Pocket druggability 0.038

Direct ligand evidence 0 51 total records

Functional annotation 0 EC 4 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.

Main supporting evidence

Risks to review

Microbiome similarity 145 of 4744 screened genomes (3.1%) have a significant similarity hit. Weak predicted binding pocket FPocket selected-pocket score 0.04. Weak second pocket-predictor signal P2Rank predicted binding-site probability 0.02.

Evidence gaps

No metabolic context No SBML/network-derived reaction evidence is loaded for 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: No hit
Gut microbiome similarity: 3.1% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): N
DEG identity (%): 0.0 Higher values support similarity to known essential genes.

Localization

Localization: Cytoplasmic

Structure confidence

ColabFold pLDDT: 96.09 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 0.038

Structure A0A0H3GG41

Pocket Pocket 5

P2Rank 0.017

Structure A0A0H3GG41

Pocket Pocket 1

ColabFold model

FPocket 0.018 · Pocket 8

P2Rank 0.033 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 145 / 4744 genomes with a hit

Prevalence 3.1%

Cross-references

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

Sequence

UniProt A0A0H3GG41

Sequence

Primary amino-acid sequence viewer.

MENYQIDNLDRGILDALMANARTAYAELAKQFSVSPGTIHVRVEKMKQAGIITGARIDVSPKQLGYDVGCFIGIILKSAKDYPSALARLESLEEVTEAYYTTGHYSIFIKVMCKSIDALQQVLINKIQTIDEIQSTETLIVLQNPIMRTIKP

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

GO:0043565 Binding to DNA of a specific nucleotide composition, e.g. GC-rich DNA binding, or with a specific sequence motif or type of DNA e.g. promotor binding or rDNA binding.
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
GO:0043200 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of an amino acid stimulus. An amino acid is a carboxylic acids containing one or more amino groups.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

26 records

Show feature table

Start	End	DB	Term	Name
58	141	Gene3D	G3DSA:3.30.70.920	-
1	57	Gene3D	G3DSA:1.10.10.10	-
1	57	InterPro	IPR036388	Winged helix-like DNA-binding domain superfamily
7	56	CDD	cd00090	HTH_ARSR
7	56	InterPro	IPR011991	ArsR-like helix-turn-helix domain
68	152	SUPERFAMILY	SSF54909	Dimeric alpha+beta barrel
68	152	InterPro	IPR011008	Dimeric alpha-beta barrel
58	141	FunFam	G3DSA:3.30.70.920:FF:000002	Transcriptional regulator AsnC
4	66	SUPERFAMILY	SSF46785	Winged helix DNA-binding domain
4	66	InterPro	IPR036390	Winged helix DNA-binding domain superfamily
1	57	FunFam	G3DSA:1.10.10.10:FF:000078	Transcriptional regulator AsnC
6	67	ProSiteProfiles	PS50956	AsnC-type HTH domain profile.
6	67	InterPro	IPR000485	AsnC-type HTH domain
1	146	PANTHER	PTHR43413	TRANSCRIPTIONAL REGULATOR, ASNC FAMILY
6	47	Pfam	PF13404	AsnC-type helix-turn-helix domain
6	47	InterPro	IPR000485	AsnC-type HTH domain
6	113	SMART	SM00344	asnc
6	113	InterPro	IPR019888	Transcription regulator AsnC-like
22	33	PRINTS	PR00033	AsnC bacterial regulatory protein HTH signature
22	33	InterPro	IPR000485	AsnC-type HTH domain
33	52	PRINTS	PR00033	AsnC bacterial regulatory protein HTH signature
33	52	InterPro	IPR000485	AsnC-type HTH domain
6	22	PRINTS	PR00033	AsnC bacterial regulatory protein HTH signature
6	22	InterPro	IPR000485	AsnC-type HTH domain
76	143	Pfam	PF01037	Lrp/AsnC ligand binding domain
76	143	InterPro	IPR019887	Transcription regulator AsnC/Lrp, ligand binding domain

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

0.017

Show in viewer

Surrounding area

Site 2 P2Rank #2

0.006

Show in viewer

Surrounding area

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_A0A0H3GG41	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold KP13_00014	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.

51 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 1 records from similar proteins

Structural ligands 1 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

MSE PDB via homolog 196.1 Da · LogP -0.04 · TPSA 63.3 Open detail RCSB PDB

ZINC2390999 ZINC proposed compound · Tanimoto 0.655 Detail ZINC

ZINC1674993 ZINC proposed compound · Tanimoto 0.640 Detail ZINC

ZINC1674994 ZINC proposed compound · Tanimoto 0.640 Detail ZINC

ZINC1674996 ZINC proposed compound · Tanimoto 0.640 Detail ZINC

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in Target, 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
MSE RCSB PDB	2E1A	O73983	196.1 Da LogP -0.04 TPSA 63.3	✓ Ro5	✓ Clean	`C[Se]CC[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
ZINC2390999 ZINC	0.655	275.3 Da LogP -1.99 TPSA 172.8	✓ Ro5	✓ Clean	`NC(=O)CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O`
ZINC1674993 ZINC	0.640	296.4 Da LogP 0.06 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCSCCSCC[C@H](N)C(=O)O)C(=O)O`
ZINC1674994 ZINC	0.640	296.4 Da LogP 0.06 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCSCCSCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1674996 ZINC	0.640	296.4 Da LogP 0.06 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCSCCSCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1529407 ZINC	0.615	222.3 Da LogP -1.07 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCSC[C@@H](N)C(=O)O)C(=O)O`
ZINC1532680 ZINC	0.615	222.3 Da LogP -1.07 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O`
ZINC1708207 ZINC	0.615	222.3 Da LogP -1.07 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCSC[C@H](N)C(=O)O)C(=O)O`
ZINC1708208 ZINC	0.615	222.3 Da LogP -1.07 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CSCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1605257 ZINC	0.613	280.4 Da LogP 0.39 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)O`
ZINC1605258 ZINC	0.613	280.4 Da LogP 0.39 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](NC(=O)[C@H](N)CCSC)C(=O)O`
ZINC1605259 ZINC	0.613	280.4 Da LogP 0.39 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](CCSC)C(=O)O`
ZINC1605260 ZINC	0.613	280.4 Da LogP 0.39 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)N[C@H](CCSC)C(=O)O`
ZINC2384801 ZINC	0.613	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC4556875 ZINC	0.613	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC4556876 ZINC	0.613	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)N[C@H](C)C(=O)O`
ZINC4556877 ZINC	0.613	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](C)C(=O)O`
ZINC2384798 ZINC	0.607	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC1569727 ZINC	0.593	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC1569728 ZINC	0.593	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC1569729 ZINC	0.593	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@H](C)C(=O)O`
ZINC1569730 ZINC	0.593	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@H](C)C(=O)O`
ZINC2391059 ZINC	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](C)CC`
ZINC2391099 ZINC	0.586	274.3 Da LogP -2.59 TPSA 178.6	✓ Ro5	✓ Clean	`NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O`
ZINC2522597 ZINC	0.586	246.3 Da LogP -0.60 TPSA 129.7	✓ Ro5	✓ Clean	`CC(C)C[C@H](NC(=O)C[C@H](N)C(=O)O)C(=O)O`
ZINC40472549 ZINC	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(=O)O)[C@@H](C)…`
ZINC40490721 ZINC	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](NC(=O)[C@@H](N)[C@H](C)CC)C(=O…`
ZINC5909388 ZINC	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@H](C)CC)C(=O)O`
ZINC1569523 ZINC	0.581	206.3 Da LogP -0.73 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)NCC(=O)O`
ZINC1593212 ZINC	0.581	206.3 Da LogP -0.73 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)NCC(=O)O`
ZINC2384813 ZINC	0.576	236.3 Da LogP -1.37 TPSA 112.7	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)O`
ZINC2384835 ZINC	0.576	264.3 Da LogP -0.89 TPSA 129.7	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O`
ZINC2390943 ZINC	0.576	248.3 Da LogP 0.29 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC4557150 ZINC	0.576	236.3 Da LogP -1.37 TPSA 112.7	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](CO)C(=O)O`
ZINC4899465 ZINC	0.576	411.6 Da LogP 0.63 TPSA 121.5	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC…`
ZINC64219373 ZINC	0.576	411.6 Da LogP 0.63 TPSA 121.5	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CCSC)…`
ZINC1532219 ZINC	0.571	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O`
ZINC1532220 ZINC	0.571	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)O`
ZINC1532221 ZINC	0.571	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)O`
ZINC1532222 ZINC	0.571	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)O`
ZINC11755051 ZINC	0.567	204.3 Da LogP 0.94 TPSA 46.3	✓ Ro5	✓ Clean	`CCN(CC)C(=O)[C@@H](N)CCSC`
ZINC4899467 ZINC	0.567	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC5662848 ZINC	0.567	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC5662849 ZINC	0.567	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC5662850 ZINC	0.567	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC57358674 ZINC	0.567	205.3 Da LogP 1.41 TPSA 52.3	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)OC(C)(C)C`
ZINC57933694 ZINC	0.567	205.3 Da LogP 1.41 TPSA 52.3	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)OC(C)(C)C`
ZINC62725402 ZINC	0.567	204.3 Da LogP 0.94 TPSA 46.3	✓ Ro5	✓ Clean	`CCN(CC)C(=O)[C@H](N)CCSC`
ZINC2522690 ZINC	0.563	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)NCCC(=O)O`
ZINC1581634 ZINC	0.552	203.2 Da LogP -2.22 TPSA 135.5	✓ Ro5	✓ Clean	`NC(=O)CC[C@H](N)C(=O)NCC(=O)O`
ZINC5500823 ZINC	0.552	203.2 Da LogP -2.22 TPSA 135.5	✓ Ro5	✓ Clean	`NC(=O)CC[C@@H](N)C(=O)NCC(=O)O`

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.