KpKP13 Protein target profile

Histidine biosynthesis bifunctional protein hisIE

Accession: KP13_03774

Gene: AHE43689.1 hisI 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GVS9
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Length 199
Pocket druggability (P2Rank · AlphaFold DB model) 0.041
Functional annotation 0 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. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Structure available AlphaFold DB model + ColabFold model

Risks to review

Microbiome similarity 463 of 4744 screened genomes (9.8%) have a significant similarity hit. Weak predicted binding pocket FPocket selected-pocket score 0.37. Weak second pocket-predictor signal P2Rank predicted binding-site probability 0.04.

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
9.8% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
85.714 Higher values support similarity to known essential genes.
DEG E-value
2.22e-121 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
96.24 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) 0.041
Structure A0A0H3GVS9
Pocket Pocket 1
Druggability (FPocket) 0.367
Structure A0A0H3GVS9
Pocket Pocket 15
ColabFold model
P2Rank 0.072 · Pocket 1
FPocket 0.452 · Pocket 10
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 463 / 4744 genomes with a hit
Prevalence 9.8%

Cross-references

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

Sequence

UniProt A0A0H3GVS9

Sequence

Primary amino-acid sequence viewer.

MLTEQLDWEKTDGMMPAIVQHAVSGEVLMLGYMNKEALEKTEATGKVTFYSRTKQRLWTKGETSGHVLNVVSITPDCDNDTLLVLVNPIGPTCHKGTTSCFGETGHQWLFLYQLEQLLAERKHADPESSYTAKLYASGTKRIAQKVGEEGVETALAATVNDRFELKNEASDLMYHLLVLLQDQGLDLGEVIDNLRARHR

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Subcellular localization

Localization
Cytoplasmic

Gene Ontology (GO)

5
  • GO:0000105 The chemical reactions and pathways resulting in the formation of L-histidine, 2-amino-3-(1H-imidazol-4-yl)propanoic acid.
  • GO:0004635 Catalysis of the reaction: 1-(5-phosphonatoribosyl)-5'-AMP + H2O = 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide.
  • GO:0004636 Catalysis of the reaction: 1-(5-phospho-D-ribosyl)-ATP + H2O = 1-(5-phosphonatoribosyl)-5'-AMP + diphosphate + H+.
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

20 records
Show feature table
Start End DB Term Name
4 117 SUPERFAMILY SSF141734 HisI-like
4 117 InterPro IPR038019 Phosphoribosyl-AMP cyclohydrolase domain superfamily
108 194 Hamap MF_01020 Phosphoribosyl-ATP pyrophosphatase [hisE].
108 194 InterPro IPR008179 Phosphoribosyl-ATP pyrophosphohydrolase
4 199 PANTHER PTHR42945 HISTIDINE BIOSYNTHESIS BIFUNCTIONAL PROTEIN
112 198 Pfam PF01503 Phosphoribosyl-ATP pyrophosphohydrolase
112 198 InterPro IPR021130 Phosphoribosyl-ATP pyrophosphohydrolase-like
111 198 SUPERFAMILY SSF101386 all-alpha NTP pyrophosphatases
4 199 Hamap MF_01019 Histidine biosynthesis bifunctional protein HisIE [hisI].
4 199 InterPro IPR023019 Histidine biosynthesis bifunctional protein HisIE
29 101 Pfam PF01502 Phosphoribosyl-AMP cyclohydrolase
29 101 InterPro IPR002496 Phosphoribosyl-AMP cyclohydrolase domain
2 93 Gene3D G3DSA:3.10.20.810 -
2 93 InterPro IPR038019 Phosphoribosyl-AMP cyclohydrolase domain superfamily
109 199 Gene3D G3DSA:1.10.287.1080 -
111 194 NCBIfam TIGR03188 phosphoribosyl-ATP diphosphatase
111 194 InterPro IPR008179 Phosphoribosyl-ATP pyrophosphohydrolase
109 199 FunFam G3DSA:1.10.287.1080:FF:000002 Histidine biosynthesis bifunctional protein HisIE
111 194 CDD cd11534 NTP-PPase_HisIE_like
1 93 FunFam G3DSA:3.10.20.810:FF:000001 Histidine biosynthesis bifunctional protein HisIE

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
0.041
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Surrounding area
Pocket 2 P2Rank #2
0.039
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Surrounding area
Pocket 3 P2Rank #3
0.028
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Surrounding area
Pocket 4 P2Rank #4
0.009
Likely same site as FPocket 15 5.5 Å 6 shared residues 75% of smaller site
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Surrounding area
Pocket 5 P2Rank #5
0.008
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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 #15
0.367
Likely same site as P2Rank 4 5.5 Å 6 shared residues 75% of smaller site
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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_A0A0H3GVS9
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_03774
ColabFold — — full sequence — Loaded