Protein target profile

KP13_01160

Anaerobic dimethyl sulfoxide reductase chain

Genome: KpKP13 Gene: AHE44740.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A8B4VIU4
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Length 285
Pocket druggability 0.901
Functional annotation 0 EC 5 GO
Target summary

Promising target candidate with multiple supporting evidence streams.

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

Main supporting evidence

No similar human protein detected The current BLAST sequence screen did not find a significant human match, lowering apparent off-target risk. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Strong predicted binding pocket FPocket selected-pocket score 0.90. This is a computational pocket signal, not binding validation. Structure available AlphaFold DB model + ColabFold model

Risks to review

Microbiome similarity 94 of 4744 screened genomes (2.0%) have a significant similarity hit. This target also has a predicted binding pocket (FPocket 0.90) — check the ligand evidence before deprioritizing on off-target risk alone. Weak second pocket-predictor signal P2Rank predicted binding-site probability 0.41.

Evidence gaps

No metabolic context No SBML/network-derived reaction evidence is loaded for this protein. No ligand evidence No experimental PDB ligands, measured ChEMBL bioactivity, or proposed ZINC compound records are available.
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
2.0% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
45.139 Higher values support similarity to known essential genes.
DEG E-value
1.94e-72 Smaller values mean stronger essential-gene similarity.

Localization

Localization
CytoplasmicMembrane

Structure confidence

ColabFold pLDDT
90.18 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 0.901
Structure A0A8B4VIU4
Pocket Pocket 17
P2Rank 0.41
Structure A0A8B4VIU4
Pocket Pocket 1
ColabFold model
FPocket 0.975 · Pocket 18
P2Rank 0.405 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 94 / 4744 genomes with a hit
Prevalence 2.0%

Cross-references

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

Sequence

UniProt A0A8B4VIU4

Sequence

Primary amino-acid sequence viewer.

MGNGWHEWPLVLFTVLGQCVVGATIVSGLGWLALGDQREARRRLVRNMFFIWLLMGIGFLASVMHLGSPLRAFNSLNRIGASALSNEIASGALFFAVGGFWWLLAVLEKMPATLGKVWLAIAMLLGLLFVLAMTRVYQINTVPTWYNGYTTSAFFLTVLLSGPLFAALLLRLAKVDFNGWFFAGLSVAALVISAAVIIMQSAGLSTLHSSVQQAATLLPDYGKLQALRLVLLALGLGCWLCPLIRRQPPRATGLLIGLLLVLIAECIGRGLFYGLHMTVGMAVAG

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5
  • GO:0019645 A process in which a series of electron carriers operate together to transfer electrons from donors such as NADH and FADH2 to any of several different terminal electron acceptors other than oxygen to generate a transmembrane electrochemical gradient.
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0009390 An enzyme complex that catalyzes the formation of dimethyl sulfide from dimethyl sulfoxide.
  • GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
  • GO:0009389 Catalysis of the reaction: dimethyl sulfide + a menaquinone + H2O = dimethyl sulfoxide + a menaquinol.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

29 records
Show feature table
Start End DB Term Name
138 148 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 275 Pfam PF04976 DMSO reductase anchor subunit (DmsC)
1 275 InterPro IPR007059 DMSO reductase anchor subunit (DmsC)
245 250 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
88 105 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
225 244 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
10 32 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
273 285 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
149 170 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
148 170 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
69 87 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
12 35 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
106 116 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
88 107 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
6 284 PANTHER PTHR38095 ANAEROBIC DIMETHYL SULFOXIDE REDUCTASE CHAIN YNFH
6 284 InterPro IPR007059 DMSO reductase anchor subunit (DmsC)
251 272 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
226 244 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
44 66 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
1 11 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
117 137 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
47 68 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
36 46 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
114 133 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
177 199 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
200 225 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
171 176 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
177 199 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
251 273 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.

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 · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #17
0.901
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Surrounding area

Binding pockets · P2Rank

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

Site 1 P2Rank #1
0.41
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Surrounding area
Site 2 P2Rank #2
0.187
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Surrounding area
Site 3 P2Rank #3
0.151
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Surrounding area
Site 4 P2Rank #4
0.139
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Surrounding area
Site 5 P2Rank #5
0.111
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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_A0A8B4VIU4
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_01160
ColabFold — — full sequence — Loaded