KpATCC43816 Protein target profile

ABC transporter family protein

Accession: VK055_4184

Gene: AIK82729.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A2L1BVD3
Length 197
Pocket druggability (P2Rank · AlphaFold DB model) 0.105
Direct ligand evidence 0 57 total records
Functional annotation 0 EC 3 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.

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 (%)
32.927 Lower values reduce human off-target concern.
Human E-value
4.23e-06
Gut microbiome similarity
1.0% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
N
DEG identity (%)
35.556 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT
93.69 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) 0.105
Structure A0A2L1BVD3
Pocket Pocket 1
Druggability (FPocket) 0.398
Structure A0A2L1BVD3
Pocket Pocket 6
ColabFold model
P2Rank 0.121 · Pocket 1
FPocket 0.324 · Pocket 9
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 48 / 4744 genomes with a hit
Prevalence 1.0%

Metabolic context

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

This protein is not associated with the imported metabolic network for this genome.

Browse the genome's metabolic network

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MFSVSELTIEQDNRPLWQNFSFELPAGERLGISAPSGYGKTMLGRVLAGWQSCRQGRITLDGLPLPKRGYCPVQLVPQHPERTFNPFRTTGNALRDAWQPDDEQLARFHVNPEWLRRKPAQLSGGELARIALLRSLDPRTRVLIADEITAQLDPSVQRDIWQQLIHESRRRGLSIIIFSHQTALLEQISSRMMIASR

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Subcellular localization

Localization
Unknown

Gene Ontology (GO)

3
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
  • GO:0016887 Catalysis of the reaction: ATP + H2O = ADP + H+ phosphate. ATP hydrolysis is used in some reactions as an energy source, for example to catalyze a reaction or drive transport against a concentration gradient.
  • GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

13 records
Show feature table
Start End DB Term Name
2 197 Gene3D G3DSA:3.40.50.300 -
2 197 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
26 189 SMART SM00382 AAA_5
26 189 InterPro IPR003593 AAA+ ATPase domain
3 193 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
3 193 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
122 136 ProSitePatterns PS00211 ABC transporters family signature.
122 136 InterPro IPR017871 ABC transporter-like, conserved site
2 197 ProSiteProfiles PS50893 ATP-binding cassette, ABC transporter-type domain profile.
2 197 InterPro IPR003439 ABC transporter-like, ATP-binding domain
18 150 Pfam PF00005 ABC transporter
18 150 InterPro IPR003439 ABC transporter-like, ATP-binding domain
15 195 PANTHER PTHR43776 TRANSPORT ATP-BINDING PROTEIN

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.

Download VMD script Full viewer

Loading 3D structure...

Drag to rotate — click the view, then scroll to zoom.

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
0.105
Show in viewer
Surrounding area
Pocket 2 P2Rank #2
0.095
Show in viewer
Surrounding area
Pocket 3 P2Rank #3
0.007
Likely same site as FPocket 2 0.7 Å 6 shared residues 100% of smaller site
Show in viewer
Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #6
0.398
Show in viewer
Surrounding area
Pocket 2 FPocket #2
0.286
Likely same site as P2Rank 3 0.7 Å 6 shared residues 100% of smaller site
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_A0A2L1BVD3
AlphaFold DB full sequence Viewing
ColabFold VK055_4184
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.

57 records
Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records
Transferred evidence 7 records from similar proteins
Structural ligands 7 0 loaded crystals
Measured bioactivity 0 direct and transferred ChEMBL records
Proposed compounds 50 similarity-based ZINC candidates
Best available ligand signal
AE3 PDB via homolog 134.2 Da · LogP 0.03 · TPSA 38.7 Open detail RCSB PDB
AGS PDB via homolog Detail RCSB PDB
DMU PDB via homolog Detail RCSB PDB
JU7 PDB via homolog Detail RCSB PDB
LMT PDB via homolog Detail RCSB PDB

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
AE3 RCSB PDB O30650 134.2 Da LogP 0.03 TPSA 38.7 ✓ Ro5 ✓ Clean CCOCCOCCO
AGS RCSB PDB P30750 523.2 Da LogP -1.51 TPSA 262.1 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
DMU RCSB PDB A0A100XE85 482.6 Da LogP -1.23 TPSA 178.5 2 viol. ✓ Clean CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C…
JU7 RCSB PDB O30650 346.5 Da LogP 1.33 TPSA 99.4 ✓ Ro5 ✓ Clean C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H…
LMT RCSB PDB O30650 510.6 Da LogP -0.45 TPSA 178.5 3 viol. ✓ Clean CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1…
MA4 RCSB PDB O30650 508.6 Da LogP -0.84 TPSA 178.5 3 viol. ✓ Clean C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H…
POP RCSB PDB O57933 176.0 Da LogP -2.08 TPSA 129.9 ✓ Ro5 ✓ Clean O[P@@](=O)([O-])O[P@@](=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.