KpKP13 Protein target profile

Amino acid ABC superfamily ATP binding cassette transporter, binding protein

Accession: KP13_02122

Gene: AHE46122.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GK59
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Length 286
Pocket druggability (P2Rank · AlphaFold DB model) 0.153
Direct ligand evidence 0 50 total records
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

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

Human similarity Top human hit identity: 42.466%. Microbiome similarity 84 of 4744 screened genomes (1.8%) have a significant similarity hit. Weak predicted binding pocket FPocket selected-pocket score 0.29. Weak second pocket-predictor signal P2Rank predicted binding-site probability 0.15.

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 (%)
42.466 Lower values reduce human off-target concern.
Human E-value
3.55e-06
Gut microbiome similarity
1.8% 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.

Structure confidence

ColabFold pLDDT
91.19 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) 0.153
Structure A0A0H3GK59
Pocket Pocket 1
Druggability (FPocket) 0.294
Structure A0A0H3GK59
Pocket Pocket 1
ColabFold model
P2Rank 0.066 · Pocket 1
FPocket 0.187 · Pocket 3
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 84 / 4744 genomes with a hit
Prevalence 1.8%

Sequence

Primary amino-acid sequence viewer.

MWERDVHKTKQGFRGKTMRNKTTKIALALGMLLLASQAQADQLADIKAAGVVKVATFDANPPFGSVDAKTHHIVGYDVDFAQALAKALGVKLELVATNPANRIPLLQSGKADLIVADITITPERAQVIDFSTPYFVTGQQFLVPAGSPDKLDEYSKARIGAVKGTTGEQALHQRFPQARVLSYDDIPLALTALRNGNVQAITQDSTILAGLLAEAPDKAKFKILPDLLSKEEIGVGVKKGEPALLKAVNDELVKLEKTGEAAKIYDVWFGPATKTPQPRAFTIEAK

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Subcellular localization

Localization
Periplasmic

Gene Ontology (GO)

5
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0015276 Enables the transmembrane transfer of an ion by a channel that opens when a specific ligand has been bound by the channel complex or one of its constituent parts.
  • GO:0005576 The space external to the outermost structure of a cell. For cells without external protective or external encapsulating structures this refers to space outside of the plasma membrane. This term covers the host cell environment outside an intracellular parasite.
  • GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall.
  • GO:0006865 The directed movement of amino acids, organic acids containing one or more amino substituents, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

20 records
Show feature table
Start End DB Term Name
15 279 PANTHER PTHR30085 AMINO ACID ABC TRANSPORTER PERMEASE
75 88 ProSitePatterns PS01039 Bacterial extracellular solute-binding proteins, family 3 signature.
75 88 InterPro IPR018313 Solute-binding protein family 3, conserved site
36 40 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
1 40 Phobius SIGNAL_PEPTIDE Signal peptide region
25 35 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
41 286 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 40 SignalP_EUK SignalP-noTM SignalP-noTM
43 270 CDD cd13689 PBP2_BsGlnH
51 271 SMART SM00079 GluR_14
51 271 InterPro IPR001320 Ionotropic glutamate receptor, C-terminal
51 272 SMART SM00062 AABind_6
51 272 InterPro IPR001638 Solute-binding protein family 3/N-terminal domain of MltF
139 230 Gene3D G3DSA:3.40.190.10 -
52 270 Pfam PF00497 Bacterial extracellular solute-binding proteins, family 3
52 270 InterPro IPR001638 Solute-binding protein family 3/N-terminal domain of MltF
1 40 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
22 271 SUPERFAMILY SSF53850 Periplasmic binding protein-like II
1 24 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
45 265 Gene3D G3DSA:3.40.190.10 -

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
0.153
Show in viewer
Surrounding area
Pocket 2 P2Rank #2
0.018
Show in viewer
Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #1
0.294
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_A0A0H3GK59
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_02122
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.

50 records
Chemistry signal

Only proposed virtual-screening candidates are available for this target.

Direct evidence 0 same-protein records
Transferred evidence 0 records from similar proteins
Structural ligands 0 0 loaded crystals
Measured bioactivity 0 direct and transferred ChEMBL records
Proposed compounds 50 similarity-based ZINC candidates
Best available ligand signal
ZINC1709624 ZINC proposed compound Tanimoto 0.600 248.2 Da · LogP -2.17 · TPSA 167.0 Open detail ZINC
ZINC4155291 ZINC proposed compound · Tanimoto 0.583 Detail ZINC
ZINC4155299 ZINC proposed compound · Tanimoto 0.583 Detail ZINC
ZINC1575288 ZINC proposed compound · Tanimoto 0.560 Detail ZINC
ZINC1575289 ZINC proposed compound · Tanimoto 0.560 Detail ZINC

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

Show only:
Ligand Tanimoto MW · LogP · TPSA Lipinski PAINS SMILES
ZINC1709624 ZINC 0.600 248.2 Da LogP -2.17 TPSA 167.0 ✓ Ro5 ✓ Clean N[C@H](CC(=O)N[C@H](CC(=O)O)C(=O)O)C(=O)O
ZINC4155291 ZINC 0.583 216.2 Da LogP -1.37 TPSA 130.8 ✓ Ro5 ✓ Clean CC(=O)/N=C(\N)NCCC[C@H](N)C(=O)O
ZINC4155299 ZINC 0.583 216.2 Da LogP -1.37 TPSA 130.8 ✓ Ro5 ✓ Clean CC(=O)/N=C(\N)NCCC[C@@H](N)C(=O)O
ZINC1575288 ZINC 0.560 248.2 Da LogP -2.17 TPSA 167.0 ✓ Ro5 ✓ Clean N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
ZINC1575289 ZINC 0.560 248.2 Da LogP -2.17 TPSA 167.0 ✓ Ro5 ✓ Clean N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
ZINC1575290 ZINC 0.560 248.2 Da LogP -2.17 TPSA 167.0 ✓ Ro5 ✓ Clean N[C@@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)O
ZINC1575291 ZINC 0.560 248.2 Da LogP -2.17 TPSA 167.0 ✓ Ro5 ✓ Clean N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)O
ZINC144076260 ZINC 0.559 232.2 Da LogP -0.84 TPSA 129.7 ✓ Ro5 ✓ Clean N[C@@H](CCCCNC(=O)CC(=O)O)C(=O)O
ZINC218922593 ZINC 0.559 204.2 Da LogP -1.32 TPSA 112.6 ✓ Ro5 ✓ Clean N[C@@H](CCCCNC(=O)CO)C(=O)O
ZINC2516116 ZINC 0.559 275.3 Da LogP -1.12 TPSA 155.7 ✓ Ro5 ✓ Clean N[C@@H](CCCCNC(=O)CC[C@H](N)C(=O)O)C(=O)O
ZINC4545887 ZINC 0.559 275.3 Da LogP -1.12 TPSA 155.7 ✓ Ro5 ✓ Clean N[C@@H](CCCCNC(=O)CC[C@@H](N)C(=O)O)C(=O)O
ZINC4545888 ZINC 0.559 275.3 Da LogP -1.12 TPSA 155.7 ✓ Ro5 ✓ Clean N[C@@H](CCC(=O)NCCCC[C@@H](N)C(=O)O)C(=O)O
ZINC4545889 ZINC 0.559 275.3 Da LogP -1.12 TPSA 155.7 ✓ Ro5 ✓ Clean N[C@H](CCCCNC(=O)CC[C@@H](N)C(=O)O)C(=O)O
ZINC50027904 ZINC 0.559 261.3 Da LogP -1.51 TPSA 155.7 ✓ Ro5 ✓ Clean N[C@@H](CCCCNC(=O)C[C@H](N)C(=O)O)C(=O)O
ZINC12503853 ZINC 0.556 201.3 Da LogP 0.55 TPSA 99.2 ✓ Ro5 ✓ Clean CCCC(=N)NCCC[C@H](N)C(=O)O
ZINC1640080 ZINC 0.556 232.3 Da LogP 0.70 TPSA 101.6 ✓ Ro5 ✓ Clean CC(C)(C)OC(=O)NCCC[C@H](N)C(=O)O
ZINC217503161 ZINC 0.556 230.3 Da LogP 0.88 TPSA 92.4 ✓ Ro5 ✓ Clean CCCCC(=O)NCCCC[C@H](N)C(=O)O
ZINC2560765 ZINC 0.556 232.3 Da LogP 0.70 TPSA 101.6 ✓ Ro5 ✓ Clean CC(C)(C)OC(=O)NCCC[C@@H](N)C(=O)O
ZINC3055005 ZINC 0.556 204.2 Da LogP -0.63 TPSA 126.6 ✓ Ro5 ✓ Clean N[C@@H](CCCC[C@H](N)C(=O)O)C(=O)O
ZINC3055007 ZINC 0.556 204.2 Da LogP -0.63 TPSA 126.6 ✓ Ro5 ✓ Clean N[C@@H](CCCC[C@@H](N)C(=O)O)C(=O)O
ZINC3055010 ZINC 0.556 204.2 Da LogP -0.63 TPSA 126.6 ✓ Ro5 ✓ Clean N[C@H](CCCC[C@@H](N)C(=O)O)C(=O)O
ZINC675038108 ZINC 0.556 231.3 Da LogP -1.49 TPSA 123.3 1 viol. ✓ Clean CNC(NC)C(=N)NCCC[C@H](N)C(=O)O
ZINC100017163 ZINC 0.553 213.3 Da LogP 0.71 TPSA 99.2 ✓ Ro5 ✓ Clean C/C=C/CC(=N)NCCC[C@H](N)C(=O)O
ZINC19796052 ZINC 0.553 219.2 Da LogP -1.73 TPSA 156.9 ✓ Ro5 ✓ Clean N/C(=N\[N+](=O)[O-])NCCC[C@H](N)C(=O)O
ZINC21982226 ZINC 0.553 219.2 Da LogP -1.73 TPSA 156.9 ✓ Ro5 ✓ Clean N/C(=N\[N+](=O)[O-])NCCC[C@@H](N)C(=O)O
ZINC5113209 ZINC 0.548 275.3 Da LogP -0.26 TPSA 138.7 ✓ Ro5 ✓ Clean N[C@@H](CCCCNCCCC[C@H](N)C(=O)O)C(=O)O
ZINC6360447 ZINC 0.543 222.3 Da LogP 0.37 TPSA 75.3 ✓ Ro5 ✓ Clean N[C@H](CCCCNC(=S)S)C(=O)O
ZINC1530092 ZINC 0.541 254.2 Da LogP -1.61 TPSA 168.8 1 viol. ✓ Clean N=C(NCCC[C@H](N)C(=O)O)NP(=O)(O)O
ZINC230402790 ZINC 0.541 214.3 Da LogP 0.26 TPSA 92.4 ✓ Ro5 ✓ Clean C/C=C/C(=O)NCCCC[C@H](N)C(=O)O
ZINC237993466 ZINC 0.541 214.3 Da LogP 0.26 TPSA 92.4 ✓ Ro5 ✓ Clean C/C=C/C(=O)NCCCC[C@@H](N)C(=O)O
ZINC5965908 ZINC 0.541 202.3 Da LogP -1.03 TPSA 99.7 ✓ Ro5 ✓ Clean C/N=C(\NC)NCCC[C@H](N)C(=O)O
ZINC1555366 ZINC 0.536 232.3 Da LogP 0.15 TPSA 126.6 ✓ Ro5 ✓ Clean N[C@@H](CCCCCC[C@H](N)C(=O)O)C(=O)O
ZINC1555367 ZINC 0.536 232.3 Da LogP 0.15 TPSA 126.6 ✓ Ro5 ✓ Clean N[C@@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
ZINC1555369 ZINC 0.536 232.3 Da LogP 0.15 TPSA 126.6 ✓ Ro5 ✓ Clean N[C@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
ZINC1720127 ZINC 0.536 218.3 Da LogP -0.24 TPSA 126.6 ✓ Ro5 ✓ Clean N[C@@H](CCCCC[C@H](N)C(=O)O)C(=O)O
ZINC1720128 ZINC 0.536 218.3 Da LogP -0.24 TPSA 126.6 ✓ Ro5 ✓ Clean N[C@@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
ZINC1720130 ZINC 0.536 218.3 Da LogP -0.24 TPSA 126.6 ✓ Ro5 ✓ Clean N[C@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
ZINC1565131 ZINC 0.528 200.2 Da LogP -0.13 TPSA 92.4 ✓ Ro5 ✓ Clean C=CC(=O)NCCCC[C@@H](N)C(=O)O
ZINC1567145 ZINC 0.528 218.3 Da LogP 0.31 TPSA 101.6 ✓ Ro5 ✓ Clean CCOC(=O)NCCCC[C@@H](N)C(=O)O
ZINC1608689 ZINC 0.528 202.3 Da LogP 0.09 TPSA 92.4 ✓ Ro5 ✓ Clean CCCCNC(=O)CC[C@H](N)C(=O)O
ZINC1737889 ZINC 0.528 245.3 Da LogP -0.33 TPSA 118.4 ✓ Ro5 ✓ Clean CC(C)[C@H](N)C(=O)NCCCC[C@H](N)C(=O)O
ZINC1737892 ZINC 0.528 245.3 Da LogP -0.33 TPSA 118.4 ✓ Ro5 ✓ Clean CC(C)[C@@H](N)C(=O)NCCCC[C@H](N)C(=O)O
ZINC1737894 ZINC 0.528 245.3 Da LogP -0.33 TPSA 118.4 ✓ Ro5 ✓ Clean CC(C)[C@H](N)C(=O)NCCCC[C@@H](N)C(=O)O
ZINC1737898 ZINC 0.528 245.3 Da LogP -0.33 TPSA 118.4 ✓ Ro5 ✓ Clean CC(C)[C@@H](N)C(=O)NCCCC[C@@H](N)C(=O)O
ZINC2027403 ZINC 0.528 200.2 Da LogP -0.13 TPSA 92.4 ✓ Ro5 ✓ Clean C=CC(=O)NCCCC[C@H](N)C(=O)O
ZINC2041390 ZINC 0.528 218.3 Da LogP 0.31 TPSA 101.6 ✓ Ro5 ✓ Clean CCOC(=O)NCCCC[C@H](N)C(=O)O
ZINC2045835 ZINC 0.528 202.3 Da LogP 0.09 TPSA 92.4 ✓ Ro5 ✓ Clean CCCCNC(=O)CC[C@@H](N)C(=O)O
ZINC2384794 ZINC 0.528 242.2 Da LogP 0.25 TPSA 92.4 ✓ Ro5 ✓ Clean N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O
ZINC6292525 ZINC 0.528 242.2 Da LogP 0.25 TPSA 92.4 ✓ Ro5 ✓ Clean N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)O
ZINC71754172 ZINC 0.528 246.3 Da LogP -0.45 TPSA 129.7 ✓ Ro5 ✓ Clean N[C@@H](CCCCNC(=O)CCC(=O)O)C(=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 A0A0H3GK59