KpKP13 Protein target profile

Inner membrane transport protein

Accession: KP13_01151

Gene: AHE44733.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GT30
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Length 427
Pocket druggability (P2Rank · AlphaFold DB model) 0.96
Direct ligand evidence 0 151 total records
Functional annotation 0 EC 4 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

Independent pocket support: P2Rank + FPocket Both predictors report a high-scoring binding site (P2Rank 0.96, FPocket 0.91). Use the 3D pocket comparison to verify whether they identify the same site. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Strong predicted binding pocket FPocket selected-pocket score 0.91. This is a computational pocket signal, not binding validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.96. Review the complete evidence below

Risks to review

Low human similarity A human hit was flagged, but identity is only 24.924% - a weak match, lower risk than a close homolog. This target also has a predicted binding pocket (P2Rank 0.96) — check the ligand evidence before deprioritizing on off-target risk alone. Microbiome similarity 44 of 4744 screened genomes (0.9%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.96) — check the ligand evidence before deprioritizing on off-target risk alone.

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
Hit
Human identity (%)
24.924 Lower values reduce human off-target concern.
Human E-value
1.48e-09
Gut microbiome similarity
0.9% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
56.763 Higher values support similarity to known essential genes.
DEG E-value
2.87e-167 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
91.52 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) 0.96
Structure A0A0H3GT30
Pocket Pocket 1
Druggability (FPocket) 0.914
Structure A0A0H3GT30
Pocket Pocket 33
ColabFold model
P2Rank 0.945 · Pocket 1
FPocket 0.871 · Pocket 13
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 44 / 4744 genomes with a hit
Prevalence 0.9%

Cross-references

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

Sequence

UniProt A0A0H3GT30

Chemistry

ChEMBL CHEMBL1200712 ChEMBL Y0X ChEMBL 4YH ChEMBL 8PR ChEMBL CEL ChEMBL CHEMBL1084589 ChEMBL CHEMBL1085319 ChEMBL CHEMBL1085320 ChEMBL CHEMBL1087296 ChEMBL CHEMBL12089 ChEMBL CHEMBL141664 ChEMBL CHEMBL142493 ChEMBL CHEMBL144721 ChEMBL CHEMBL145203 ChEMBL CHEMBL145666 ChEMBL CHEMBL148216 ChEMBL CHEMBL149394 ChEMBL CHEMBL1590868 ChEMBL CHEMBL1630217 ChEMBL CHEMBL1630218 ChEMBL CHEMBL1642586 ChEMBL CHEMBL1651180 ChEMBL CHEMBL1973733 ChEMBL CHEMBL2048632 ChEMBL CHEMBL2158992 ChEMBL CHEMBL2158993 ChEMBL CHEMBL2158994 ChEMBL CHEMBL2158995 ChEMBL CHEMBL2158996 ChEMBL CHEMBL2158997 ChEMBL CHEMBL2158998 ChEMBL CHEMBL2158999 ChEMBL CHEMBL2159000 ChEMBL CHEMBL2159001 ChEMBL CHEMBL2159002 ChEMBL CHEMBL223643 ChEMBL CHEMBL224214 ChEMBL CHEMBL2375078 ChEMBL CHEMBL290185 ChEMBL CHEMBL294989 ChEMBL CHEMBL328060 ChEMBL CHEMBL357583 ChEMBL CHEMBL358518 ChEMBL CHEMBL359477 ChEMBL CHEMBL3741903 ChEMBL CHEMBL4161736 ChEMBL CHEMBL4162139 ChEMBL CHEMBL4163342 ChEMBL CHEMBL4164426 ChEMBL CHEMBL4164737 ChEMBL CHEMBL4167074 ChEMBL CHEMBL4168315 ChEMBL CHEMBL4168943 ChEMBL CHEMBL4169246 ChEMBL CHEMBL4169284 ChEMBL CHEMBL4170063 ChEMBL CHEMBL4170066 ChEMBL CHEMBL4171147 ChEMBL CHEMBL4171241 ChEMBL CHEMBL4172225 ChEMBL CHEMBL4172372 ChEMBL CHEMBL4172781 ChEMBL CHEMBL4174957 ChEMBL CHEMBL4175014 ChEMBL CHEMBL4175717 ChEMBL CHEMBL4176162 ChEMBL CHEMBL422481 ChEMBL CHEMBL4280954 ChEMBL CHEMBL434066 ChEMBL CHEMBL4483762 ChEMBL CHEMBL4530442 ChEMBL CHEMBL463095 ChEMBL CHEMBL4632747 ChEMBL CHEMBL4633466 ChEMBL CHEMBL4634004 ChEMBL CHEMBL4634567 ChEMBL CHEMBL469266 ChEMBL CHEMBL472329 ChEMBL CHEMBL4764996 ChEMBL CHEMBL487602 ChEMBL CHEMBL5180154 ChEMBL CHEMBL5183287 ChEMBL CHEMBL5184912 ChEMBL CHEMBL5189886 ChEMBL CHEMBL5195700 ChEMBL CHEMBL5197459 ChEMBL CHEMBL519793 ChEMBL CHEMBL5199021 ChEMBL CHEMBL520369 ChEMBL CHEMBL539923 ChEMBL CHEMBL5402153 ChEMBL CHEMBL5409878 ChEMBL CHEMBL5427043 ChEMBL CHEMBL5433605 ChEMBL CHEMBL555456 ChEMBL CHEMBL772 ChEMBL CHEMBL89401 ChEMBL CHEMBL91638 ChEMBL GDS ChEMBL Z80

Sequence

Primary amino-acid sequence viewer.

MAIETLAARTGATPLRIRRVQKITLTLLFIAGIVNFLDRSSLSVAGEAIRADLGLSATEFGVLLSAFSLSYGFAQLPSGILLDRLGPRIVLGAGLIFWSAMQALTGMVNSFSHFILLRIGLGIGEAPFMPAGVKSINDWYAQRERGTAVGIFNSSTVLGQAIAPPALVIMQLAWGWRMMFVVIGLAGIVVGLCWYVGYRNRRQFTLQEEEQQYLASEEAARPALKFSEWLALFKRRTTWGMILGFSGVNYTGWLYIAWLPGYLQAQQGLSLARTGWVAAIPFLAAAVGMWVNGLVVDALARRGYDQAKTRKTAIVIGLVLSALGTLLVVQSSTPAQAVAFISMALFCVHFAGTSAWGLVQVMVAEHKVASVAAIQNFGSFVFASFAPIVTGWVVDTTHSFNLALVIAAGVTFAGALCYFFIVKTRID

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Subcellular localization

Localization
CytoplasmicMembrane

Gene Ontology (GO)

4
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other.
  • GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
  • GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

45 records
Show feature table
Start End DB Term Name
109 173 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 19 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
274 296 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
372 394 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
259 277 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
237 259 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
400 421 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
23 45 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
89 108 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
360 370 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
24 426 ProSiteProfiles PS50850 Major facilitator superfamily (MFS) profile.
24 426 InterPro IPR020846 Major facilitator superfamily domain
38 59 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
313 332 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
301 311 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
22 424 PANTHER PTHR11662 SOLUTE CARRIER FAMILY 17
239 258 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
60 82 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
8 427 PIRSF PIRSF002808 Hexose_phosphate_transp
8 427 InterPro IPR000849 Sugar phosphate transporter
60 82 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
174 197 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
20 37 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
312 331 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
337 359 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
422 427 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
198 238 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
89 111 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
332 336 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
395 399 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
231 426 Gene3D G3DSA:1.20.1250.20 MFS general substrate transporter like domains
231 426 InterPro IPR036259 MFS transporter superfamily
15 210 Gene3D G3DSA:1.20.1250.20 MFS general substrate transporter like domains
15 210 InterPro IPR036259 MFS transporter superfamily
400 422 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
25 421 CDD cd17319 MFS_ExuT_GudP_like
371 394 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
278 300 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
337 359 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
83 88 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
176 198 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
28 387 Pfam PF07690 Major Facilitator Superfamily
28 387 InterPro IPR011701 Major facilitator superfamily
15 423 SUPERFAMILY SSF103473 MFS general substrate transporter
15 423 InterPro IPR036259 MFS transporter superfamily

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
0.96
Likely same site as FPocket 1 6.3 Å 12 shared residues 100% of smaller site
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Surrounding area
Pocket 2 P2Rank #2
0.147
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Surrounding area
Pocket 3 P2Rank #3
0.128
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Surrounding area
Pocket 4 P2Rank #4
0.095
Likely same site as FPocket 33 2.9 Å 9 shared residues 90% of smaller site
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Surrounding area
Pocket 5 P2Rank #5
0.071
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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 #33
0.914
Likely same site as P2Rank 4 2.9 Å 9 shared residues 90% of smaller site
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Surrounding area
Pocket 2 FPocket #1
0.691
Likely same site as P2Rank 1 6.3 Å 12 shared residues 100% of smaller site
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Surrounding area
Pocket 3 FPocket #31
0.402
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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_A0A0H3GT30
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_01151
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.

151 records
Chemistry signal

Structural and bioactivity evidence are both available for this target.

Direct evidence 0 same-protein records
Transferred evidence 101 records from similar proteins
Structural ligands 1 0 loaded crystals
Measured bioactivity 100 direct and transferred ChEMBL records
Proposed compounds 50 similarity-based ZINC candidates
Best available ligand signal
J0M PDB via homolog 196.2 Da · LogP -3.49 · TPSA 138.5 Open detail RCSB PDB
CHEMBL1200712 ChEMBL via homolog · pchembl 7.40 (~39.8 nM) Detail ChEMBL
Y0X ChEMBL via homolog · pchembl 6.72 (~190.5 nM) Detail ChEMBL
4YH ChEMBL via homolog Detail ChEMBL
8PR ChEMBL via homolog Detail ChEMBL

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
J0M RCSB PDB
6E9O
J7QAK3 196.2 Da LogP -3.49 TPSA 138.5 1 viol. ✓ Clean C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)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.