KpATCC43816 Protein target profile

phosphoglucomutase/phosphomannomutase, C-terminal domain protein

Accession: VK055_5028

Gene: manB AIK83554.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism 3 reactions UniProt A0A4S6MX35
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Length 456
Pocket druggability (P2Rank · AlphaFold DB model) 0.947
Metabolic reactions 3
Chokepoint No
Direct ligand evidence 0 16 total records
Functional annotation 1 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.

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. Second pocket predictor agrees P2Rank predicted binding-site probability 0.95. Structure available AlphaFold DB model + ColabFold model Ligand evidence via structure/bioactivity 1 structural and 0 bioactivity records.

Risks to review

Microbiome similarity 177 of 4744 screened genomes (3.7%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.95) — check the ligand evidence before deprioritizing on off-target risk alone. Mixed conservation Core/accessory calls are not fully concordant. Weak predicted binding pocket FPocket selected-pocket score 0.24.

Evidence coverage

Core evidence streams are available for this target.
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
3.7% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
61.299 Higher values support similarity to known essential genes.
DEG E-value
2.85e-174 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
96.58 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

AlphaFold DB / UniProt model

P2Rank's binding-site probability is the primary druggability signal shown across the app; FPocket's druggability score is shown alongside it for comparison. Both estimate small-molecule pocket quality after applying the curated structure priority — neither is experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.

Druggability (P2Rank) 0.947
Structure A0A4S6MX35
Pocket Pocket 1
Druggability (FPocket) 0.243
Structure A0A4S6MX35
Pocket Pocket 8
ColabFold model
P2Rank 0.948 · Pocket 1
FPocket 0.448 · Pocket 5
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 177 / 4744 genomes with a hit
Prevalence 3.7%

Metabolic context

Reactions catalyzed, pathway membership, and centrality in the genome-scale metabolic network.

Explore metabolic network

Metabolic context: no human homolog detected.

Relative network centrality 0.0% more central than 0.0% of genes in this genome
Chokepoint Not a chokepoint
Pathways
Amino sugar and nucleotide sugar metabolism Galactose metabolism Glycolysis / Gluconeogenesis
Catalyzed reactions

3 reactions mapped to this gene in the metabolic model. Open the full network to see each one, with substrates/products and the reaction-reaction map.

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MTQLTCFKAYDIRGELGEELNEDIAYRIGRAYGEFLKPGKIVVGGDVRLTSESLKLALARGLMDAGTDVLDIGLSGTEEIYFATFHLGVDGGIEVTASHNPMNYNGMKLVRENAKPISGDTGLRDIQRLAEENQFPPVDPARRGTLRQISVLKEYVDHLMGYVDLANFTRPLKLVVNSGNGAAGHVIDEVEKRFAAAGAPVTFIKVHHQPDGHFPNGIPNPLLPECRQDTADAVRVHQADMGIAFDGDFDRCFLFDDEASFIEGYYIVGLLAEAFLQKQPGAKIIHDPRLTWNTVDIVTRSGGQPVMSKTGHAFIKERMRQEDAIYGGEMSAHHYFRDFAYCDSGMIPWLLVAELLCLKNSSLKSLVADRQAAFPASGEINRKLGNAAEAIARIRAQYEPAAAHIDTTDGISIEYPEWRFNLRTSNTEPVVRLNVESRADTALMNAKTEEILALLK

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 5 GO

Subcellular localization

Localization
Cytoplasmic

Enzyme Commission (EC)

1

Gene Ontology (GO)

5
  • GO:0071704 OBSOLETE. The chemical reactions and pathways involving an organic substance, any molecular entity containing carbon.
  • GO:0000287 Binding to a magnesium (Mg) ion.
  • GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
  • GO:0016868 Catalysis of the transfer of a phosphate group from one position to another within a single molecule.
  • GO:0004615 Catalysis of the reaction: alpha-D-mannose 1-phosphate = D-mannose 6-phosphate.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

32 records
Show feature table
Start End DB Term Name
264 369 SUPERFAMILY SSF53738 Phosphoglucomutase, first 3 domains
264 369 InterPro IPR016055 Alpha-D-phosphohexomutase, alpha/beta/alpha I/II/III
153 257 Pfam PF02879 Phosphoglucomutase/phosphomannomutase, alpha/beta/alpha domain II
153 257 InterPro IPR005845 Alpha-D-phosphohexomutase, alpha/beta/alpha domain II
264 370 Pfam PF02880 Phosphoglucomutase/phosphomannomutase, alpha/beta/alpha domain III
264 370 InterPro IPR005846 Alpha-D-phosphohexomutase, alpha/beta/alpha domain III
2 455 PANTHER PTHR43771 PHOSPHOMANNOMUTASE
375 455 SUPERFAMILY SSF55957 Phosphoglucomutase, C-terminal domain
375 455 InterPro IPR036900 Alpha-D-phosphohexomutase, C-terminal domain superfamily
375 456 Gene3D G3DSA:3.30.310.50 -
7 134 Pfam PF02878 Phosphoglucomutase/phosphomannomutase, alpha/beta/alpha domain I
7 134 InterPro IPR005844 Alpha-D-phosphohexomutase, alpha/beta/alpha domain I
3 177 SUPERFAMILY SSF53738 Phosphoglucomutase, first 3 domains
3 177 InterPro IPR016055 Alpha-D-phosphohexomutase, alpha/beta/alpha I/II/III
92 101 ProSitePatterns PS00710 Phosphoglucomutase and phosphomannomutase phosphoserine signature.
92 101 InterPro IPR016066 Alpha-D-phosphohexomutase, conserved site
2 146 Gene3D G3DSA:3.40.120.10 -
6 455 CDD cd03089 PMM_PGM
379 455 Pfam PF00408 Phosphoglucomutase/phosphomannomutase, C-terminal domain
379 455 InterPro IPR005843 Alpha-D-phosphohexomutase, C-terminal
153 261 SUPERFAMILY SSF53738 Phosphoglucomutase, first 3 domains
153 261 InterPro IPR016055 Alpha-D-phosphohexomutase, alpha/beta/alpha I/II/III
260 368 Gene3D G3DSA:3.40.120.10 -
239 254 PRINTS PR00509 Phosphoglucomutase/phosphomannomutase family signature
239 254 InterPro IPR005841 Alpha-D-phosphohexomutase superfamily
210 223 PRINTS PR00509 Phosphoglucomutase/phosphomannomutase family signature
210 223 InterPro IPR005841 Alpha-D-phosphohexomutase superfamily
91 105 PRINTS PR00509 Phosphoglucomutase/phosphomannomutase family signature
91 105 InterPro IPR005841 Alpha-D-phosphohexomutase superfamily
171 190 PRINTS PR00509 Phosphoglucomutase/phosphomannomutase family signature
171 190 InterPro IPR005841 Alpha-D-phosphohexomutase superfamily
170 361 Gene3D G3DSA:3.40.120.10 -

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

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1
0.947
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Surrounding area
Pocket 2 P2Rank #2
0.189
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Surrounding area
Pocket 3 P2Rank #3
0.103
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Surrounding area
Pocket 4 P2Rank #4
0.01
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Surrounding area
Pocket 5 P2Rank #5
0.007
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Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #8
0.243
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_A0A4S6MX35
AlphaFold DB — — full sequence — Viewing
ColabFold VK055_5028
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.

16 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 15 similarity-based ZINC candidates
Best available ligand signal
TLA PDB via homolog 150.1 Da · LogP -2.12 · TPSA 115.1 Open detail RCSB PDB
ZINC12359024 ZINC proposed compound · Tanimoto 0.692 Detail ZINC
ZINC13533920 ZINC proposed compound · Tanimoto 0.692 Detail ZINC
ZINC1532740 ZINC proposed compound · Tanimoto 0.692 Detail ZINC
ZINC1549593 ZINC proposed compound · Tanimoto 0.692 Detail ZINC

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
TLA RCSB PDB
1K2Y
P26276 150.1 Da LogP -2.12 TPSA 115.1 ✓ Ro5 ✓ Clean [C@@H]([C@H](C(=O)O)O)(C(=O)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.

Cross-references

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

Sequence

UniProt A0A4S6MX35

Pathways

KEGG R00959 BioCyc PHOSPHOGLUCMUT-RXN BioCyc PHOSPHOGLUCMUT-RXN-GLC-1-P//ALPHA-GLC-6-P.23. BioCyc PHOSPHOGLUCMUT-RXN-GLC-1-P//GLC-6-P.17.