KpATCC43816 Protein target profile

major Facilitator Superfamily protein

Accession: VK055_1905

Gene: AIK80511.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GTT0

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Length 452

Pocket druggability (P2Rank · AlphaFold DB model) 0.943

Direct ligand evidence 0 21 total records

Functional annotation 0 EC 7 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 0.94, FPocket 0.74). 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 0.74. This is a computational pocket signal, not binding validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.94. Review the complete evidence below

Risks to review

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: Hit
Human identity (%): 31.25 Lower values reduce human off-target concern.
Human E-value: 8.15e-10
Gut microbiome similarity: 0.2% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): N
DEG identity (%): 28.029 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT: 88.34 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) 0.943

Structure A0A0H3GTT0

Pocket Pocket 1

Druggability (FPocket) 0.745

Structure A0A0H3GTT0

Pocket Pocket 8

ColabFold model

P2Rank 0.951 · Pocket 1

FPocket 0.818 · Pocket 4

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 9 / 4744 genomes with a hit

Prevalence 0.2%

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.

MSGIIAFFRASPPKAGAAFDEHRFRRVRWQTFIAMTLAYVTFYVCRLSFTVAKSALVELGITPTELGMIGSTLFFSYAIGKLVNGFIADHANVVRYMSLGLLLSAGMNLMMGMTTNALLLAIFWGINGWAQSMGVGPCAVSLARWYGVKERGTFYGIWSTAHNIGEAVTYMVIAAVIAGFGWQMGYLSTAALGAAGVVLLVLFMHDSPQSSGFPSINVIRDEPQEEVEARGSVFKNQLLALRNPALWTLALASAFMYIDRYAVNSWGIFFLEQDKAYSTLEASGIIGVNAIAGIAGTIIAGMLSDRFFPRNRSVMAGFISLLNTAGFALMLWSPHNYYTDILAMIIFGATIGALTCFLGGLIAVDISSRKAAGAALGTIGIASYAGAGLGEFLTGIIIDKTAILENGKTLYDFSTLALFWVGTGLGSALLCFTTAAIVARRHAVERQTSFSS

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Subcellular localization

Localization: CytoplasmicMembrane

Gene Ontology (GO)

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:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
GO:0012505 A collection of membranous structures involved in transport within the cell. The main components of the endomembrane system are endoplasmic reticulum, Golgi bodies, vesicles, cell membrane and nuclear envelope. Members of the endomembrane system pass materials through each other or though the use of vesicles.
GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
GO:0061513 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: glucose 6-phosphate(out) + phosphate(in) = glucose 6-phosphate(in) + phosphate(out).
GO:0035435 The process in which a phosphate is transported across a membrane.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

51 records

Show feature table

Start	End	DB	Term	Name
99	123	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
32	390	Pfam	PF07690	Major Facilitator Superfamily
32	390	InterPro	IPR011701	Major facilitator superfamily
399	417	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
181	203	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
124	128	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
20	222	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
20	222	InterPro	IPR036259	MFS transporter superfamily
9	451	PIRSF	PIRSF002808	Hexose_phosphate_transp
9	451	InterPro	IPR000849	Sugar phosphate transporter
239	258	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
27	441	ProSiteProfiles	PS50850	Major facilitator superfamily (MFS) profile.
27	441	InterPro	IPR020846	Major facilitator superfamily domain
418	439	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
29	51	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
50	68	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
440	452	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
233	450	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
233	450	InterPro	IPR036259	MFS transporter superfamily
376	398	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
264	282	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
416	438	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
66	88	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
32	49	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
181	185	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
304	314	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
336	340	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.
100	122	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
69	87	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
88	98	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
149	159	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
28	434	CDD	cd17312	MFS_OPA_SLC37
376	398	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
245	263	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
205	244	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
18	434	SUPERFAMILY	SSF103473	MFS general substrate transporter
18	434	InterPro	IPR036259	MFS transporter superfamily
341	364	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
186	204	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
365	375	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
126	148	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
129	148	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
278	300	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	31	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
155	177	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
160	180	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
342	364	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
21	442	PANTHER	PTHR43826	GLUCOSE-6-PHOSPHATE EXCHANGER SLC37A4
315	335	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
283	303	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.

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

0.943

Likely same site as FPocket 3 3.4 Å 19 shared residues 90% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.141

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Surrounding area

Pocket 3 P2Rank #3

0.059

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Surrounding area

Pocket 4 P2Rank #4

0.044

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Surrounding area

Pocket 5 P2Rank #5

0.024

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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

0.745

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Surrounding area

Pocket 2 FPocket #7

0.66

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Surrounding area

Pocket 3 FPocket #3

0.208

Likely same site as P2Rank 1 3.4 Å 19 shared residues 90% of smaller site

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Surrounding area

Binding pockets · P2Rank

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

Pocket 1 P2Rank #1

0.951

Likely same site as FPocket 8 4.0 Å 28 shared residues 85% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.128

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Surrounding area

Pocket 3 P2Rank #3

0.079

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Surrounding area

Pocket 4 P2Rank #4

0.071

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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 #4

0.818

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Surrounding area

Pocket 2 FPocket #20

0.789

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Surrounding area

Pocket 3 FPocket #5

0.738 Unusual size

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Surrounding area

Pocket 4 FPocket #8

0.526 Unusual size

Likely same site as P2Rank 1 4.0 Å 28 shared residues 85% 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_A0A0H3GTT0	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_1905	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.

21 records

Chemistry signal

Bioactivity evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 7 records from similar proteins

Structural ligands 0 0 loaded crystals

Measured bioactivity 7 direct and transferred ChEMBL records

Proposed compounds 14 similarity-based ZINC candidates

Best available ligand signal

CHEMBL236247 ChEMBL via homolog pchembl 8.70 (~2.0 nM) 604.1 Da · LogP 4.05 · TPSA 144.0 Open detail ChEMBL

CHEMBL238371 ChEMBL via homolog · pchembl 8.30 (~5.0 nM) Detail ChEMBL

CHEMBL3218305 ChEMBL via homolog · pchembl 7.10 (~79.4 nM) Detail ChEMBL

CHEMBL3218306 ChEMBL via homolog · pchembl 6.89 (~128.8 nM) Detail ChEMBL

CHEMBL3218302 ChEMBL via homolog · pchembl 6.68 (~208.9 nM) Detail ChEMBL

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in Target, use Open crystal to inspect it in the structure viewer.

No PDB structure with a co-crystallized ligand found for this exact protein.

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.

No PDB ligands found through similar proteins.

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL bioactivity data found for this exact protein.

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL236247 ChEMBL	O43826	8.70 ~2.0 nM	604.1 Da LogP 4.05 TPSA 144.0	1 viol.	✓ Clean	`O=C(/C=C(/c1ccccc1)n1cnc2ncccc21)O[C@@H]1C[C@](…`
CHEMBL238371 ChEMBL	O43826	8.30 ~5.0 nM	548.5 Da LogP 2.31 TPSA 223.8	2 viol.	Alert	`O=C(O)CC(O)CCC(=O)c1cccc(O)c1C(=O)c1c(C(=O)O)c(…`
CHEMBL3218305 ChEMBL	O43826	7.10 ~79.4 nM	644.7 Da LogP 4.59 TPSA 198.9	3 viol.	Alert	`CCCC(C)/C=C(C)/C=C/C(=O)CC1=C(c2cc(O)c(O)cc2C2=…`
CHEMBL3218306 ChEMBL	O43826	6.89 ~128.8 nM	660.7 Da LogP 4.29 TPSA 219.1	3 viol.	Alert	`CCCC(C)/C=C(C)/C=C/C(=O)CC1=C(c2cc(O)c(O)cc2C2=…`
CHEMBL3218302 ChEMBL	O43826	6.68 ~208.9 nM	502.9 Da LogP 3.13 TPSA 133.5	1 viol.	✓ Clean	`O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](OC[C@@H]2C[C…`
CHEMBL3218303 ChEMBL	O43826	6.48 ~331.1 nM	552.6 Da LogP 5.41 TPSA 148.8	2 viol.	✓ Clean	`COc1cc(OC(=O)c2c(C)cc(O)c(C)c2O)c(C)c(C)c1C(=O)…`
DWT ChEMBL	O43826	6.29 ~512.9 nM	503.5 Da LogP 5.75 TPSA 97.6	2 viol.	✓ Clean	`Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5c…`

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

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC1687273 ZINC	0.600	374.4 Da LogP 3.56 TPSA 102.3	✓ Ro5	✓ Clean	`COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c…`
ZINC1655202 ZINC	0.583	360.4 Da LogP 3.26 TPSA 113.3	✓ Ro5	✓ Clean	`COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1C`
ZINC31166761 ZINC	0.583	402.4 Da LogP 4.18 TPSA 102.3	✓ Ro5	✓ Clean	`COc1c(C)c(O)c(C)c(C)c1C(=O)Oc1c(C)c(C)c(C(=O)O)…`
ZINC13514678 ZINC	0.563	338.3 Da LogP -0.35 TPSA 144.5	✓ Ro5	✓ Clean	`O=C(/C=C\c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[…`
ZINC34042772 ZINC	0.563	338.3 Da LogP -0.35 TPSA 144.5	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C…`
ZINC3804525 ZINC	0.563	338.3 Da LogP -0.35 TPSA 144.5	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[…`
ZINC1674499 ZINC	0.538	388.4 Da LogP 3.65 TPSA 91.3	✓ Ro5	✓ Clean	`COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC)c(C)c2OC)c(C)…`
ZINC220133900 ZINC	0.538	398.3 Da LogP 3.77 TPSA 85.1	✓ Ro5	✓ Clean	`Cc1nc2nc(-c3cccnc3)nn2cc1C(=O)Nc1cccc(C(F)(F)F)…`
ZINC20148987 ZINC	0.532	414.4 Da LogP 4.50 TPSA 97.1	✓ Ro5	✓ Clean	`Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)…`
ZINC9306398 ZINC	0.512	398.3 Da LogP 3.77 TPSA 85.1	✓ Ro5	✓ Clean	`Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2nc(-c3cccnc3)…`
ZINC5049572 ZINC	0.507	336.3 Da LogP 4.22 TPSA 58.2	✓ Ro5	✓ Clean	`CC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C`
ZINC13334444 ZINC	0.500	298.2 Da LogP 1.88 TPSA 111.9	✓ Ro5	Alert	`Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O`
ZINC514287780 ZINC	0.500	338.3 Da LogP -0.35 TPSA 144.5	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccc(O)cc1)O[C@]1(C(=O)O)C[C@@H](O)[C…`
ZINC8740080 ZINC	0.500	420.3 Da LogP 1.86 TPSA 187.9	✓ Ro5	✓ Clean	`COc1cc(C)c(C(=O)Oc2c(C)c(C(=O)O)c(O)c(C=O)c2O)c…`

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 A0A0H3GTT0

Chemistry

ChEMBL CHEMBL236247 ChEMBL CHEMBL238371 ChEMBL CHEMBL3218305 ChEMBL CHEMBL3218306 ChEMBL CHEMBL3218302 ChEMBL CHEMBL3218303 ChEMBL DWT