Protein profile

VK055_1162

permease for cytosine/purines, uracil, thiamine,allantoin family protein

Genome: KpATCC43816

Gene: AIK79785.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GW71

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Amino acids 459

Annotations 4

Features 45

PDB binders 5

Druggability 0.855

Overview

Basic information about this protein and its source genome.

Accession: VK055_1162
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: AIK79785.1
Status: annotated
Amino acids: 459
Structure source: AlphaFold + ColabFold

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:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: CytoplasmicMembrane
ColabFold pLDDT: 91.45

Selected Druggability evidence

AlphaFold / UniProt model

Selected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.

FPocket 0.855

Structure A0A0H3GW71

Pocket Pocket 2

P2Rank 0.953

Structure A0A0H3GW71

Pocket Pocket 1

ColabFold model

FPocket 0.751 · Pocket 2

P2Rank 0.943 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 31 / 4744 genomes with a hit

Normalized 0.007

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

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:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

Sequence Features

Domain/signature hits from InterPro and related databases.

45 records

Show feature table

Start	End	DB	Term	Name
369	388	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
386	408	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
418	440	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
44	48	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
109	127	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
443	459	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
342	346	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	22	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
150	155	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
11	448	CDD	cd11484	SLC-NCS1sbd_CobB-like
319	341	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
408	418	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
187	210	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
50	72	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
70	88	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
49	69	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
276	307	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.
419	442	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
92	114	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
156	178	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	454	PIRSF	PIRSF002744	Pur-cyt_permease
1	454	InterPro	IPR026030	Purine-cytosine permease Fcy2/21/22
347	368	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
230	256	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
156	175	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
276	298	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
23	43	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
3	442	Gene3D	G3DSA:1.10.4160.10	Hydantoin permease
129	151	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
176	186	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
188	210	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
3	449	PANTHER	PTHR31806	PURINE-CYTOSINE PERMEASE FCY2-RELATED
3	449	InterPro	IPR026030	Purine-cytosine permease Fcy2/21/22
257	275	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
389	407	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
211	229	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
128	149	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
9	431	Pfam	PF02133	Permease for cytosine/purines, uracil, thiamine, allantoin
9	431	InterPro	IPR001248	Purine-cytosine permease
347	369	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.
319	341	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
308	318	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
230	252	TMHMM	TMhelix	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; predicted models typically cover the full protein.

Loading 3D structure...

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Structural evidence

0 + 2

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold AF_A0A0H3GW71	AlphaFold	—	—	full sequence	—	Viewing
ColabFold VK055_1162	ColabFold	—	—	full sequence	—	Loaded

Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET	Sticks	Spheres	Surfaces	Druggability	Labels	Zoom	Positions
2				0.855
9				0.571
17				0.508

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK	Score	Probability
1	29.4	0.931
2	7.02	0.363
3	6.99	0.361
4	4.45	0.189
5	2.66	0.078

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET	Sticks	Spheres	Surfaces	Druggability	Labels	Zoom	Positions
1				0.508
3				0.25

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK	Score	Probability
1	24.61	0.9
2	7.44	0.39
3	5.05	0.23
4	4.91	0.221
5	4.68	0.205

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.

55 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, 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.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
5FH	4D1B	D6R8X8	190.2 Da LogP 0.44 TPSA 58.2	✓ Ro5	✓ Clean	`c1ccc(cc1)C[C@H]2C(=O)NC(=O)N2`
5ND	4D1D	D6R8X8	240.3 Da LogP 1.59 TPSA 58.2	✓ Ro5	✓ Clean	`c1ccc2cc(ccc2c1)C[C@@H]3C(=O)NC(=O)N3`
5NL	4D1D	D6R8X8	240.3 Da LogP 1.59 TPSA 58.2	✓ Ro5	✓ Clean	`c1ccc2cc(ccc2c1)C[C@H]3C(=O)NC(=O)N3`
B5H	4D1C	D6R8X8	267.1 Da LogP 1.63 TPSA 58.2	✓ Ro5	✓ Clean	`c1cc(cc(c1)Br)/C=C\2/C(=O)NC(=O)N2`
I5H	4D1A	D6R8X8	229.2 Da LogP 0.92 TPSA 74.0	✓ Ro5	✓ Clean	`c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)NC(=O)N3`

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).

No ChEMBL hits found through similar proteins.

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
ZINC1093415	1.000	267.1 Da LogP 1.63 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)/C(=C\c2cccc(Br)c2)N1`
ZINC16386114	1.000	267.1 Da LogP 1.63 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)/C(=C/c2cccc(Br)c2)N1`
ZINC1682922	1.000	229.2 Da LogP 0.92 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1`
ZINC2043051	1.000	229.2 Da LogP 0.92 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N1`
ZINC18209074	0.800	372.4 Da LogP 2.42 TPSA 89.8	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1c[n…`
ZINC2113938	0.800	372.4 Da LogP 2.42 TPSA 89.8	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]1Cc1c[…`
ZINC4073922	0.800	372.4 Da LogP 2.42 TPSA 89.8	✓ Ro5	✓ Clean	`O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1c[…`
ZINC28526335	0.750	245.3 Da LogP 1.08 TPSA 56.9	✓ Ro5	✓ Clean	`O=C1NC(=S)N[C@@H]1Cc1c[nH]c2ccccc12`
ZINC28526336	0.750	245.3 Da LogP 1.08 TPSA 56.9	✓ Ro5	✓ Clean	`O=C1NC(=S)N[C@H]1Cc1c[nH]c2ccccc12`
ZINC18061788	0.741	294.4 Da LogP 1.45 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2ccccc2)C(=O)N[C@H]1Cc1ccccc1`
ZINC2038712	0.741	294.4 Da LogP 1.45 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1ccccc1`
ZINC2038715	0.741	294.4 Da LogP 1.45 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2ccccc2)C(=O)N[C@@H]1Cc1ccccc1`
ZINC15773085	0.722	283.1 Da LogP 1.79 TPSA 41.1	✓ Ro5	✓ Clean	`O=C1NC(=S)N/C1=C\c1cccc(Br)c1`
ZINC1669933	0.710	224.6 Da LogP 1.09 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@H](Cc2ccc(Cl)cc2)N1`
ZINC2045152	0.710	224.6 Da LogP 1.09 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@@H](Cc2ccc(Cl)cc2)N1`
ZINC5769509	0.710	208.2 Da LogP 0.58 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@@H](Cc2ccc(F)cc2)N1`
ZINC5769537	0.710	208.2 Da LogP 0.58 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@H](Cc2ccc(F)cc2)N1`
ZINC13430262	0.700	273.3 Da LogP -0.31 TPSA 94.2	✓ Ro5	✓ Clean	`O=C1N[C@H](CO)C(=O)N[C@H]1Cc1c[nH]c2ccccc12`
ZINC13430264	0.700	273.3 Da LogP -0.31 TPSA 94.2	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1CO`
ZINC13430265	0.700	273.3 Da LogP -0.31 TPSA 94.2	✓ Ro5	✓ Clean	`O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1CO`
ZINC2560888	0.700	333.4 Da LogP 1.94 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]1Cc1cc…`
ZINC4899716	0.700	333.4 Da LogP 1.94 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1cc…`
ZINC6096559	0.700	333.4 Da LogP 1.94 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2cccc…`
ZINC6096622	0.700	333.4 Da LogP 1.94 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccc…`
ZINC1754395	0.688	204.2 Da LogP 0.75 TPSA 58.2	✓ Ro5	✓ Clean	`Cc1ccc(C[C@H]2NC(=O)NC2=O)cc1`
ZINC2034264	0.688	204.2 Da LogP 0.75 TPSA 58.2	✓ Ro5	✓ Clean	`Cc1ccc(C[C@@H]2NC(=O)NC2=O)cc1`
ZINC3290147	0.688	204.2 Da LogP 0.83 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@H](CCc2ccccc2)N1`
ZINC3290149	0.688	204.2 Da LogP 0.83 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@@H](CCc2ccccc2)N1`
ZINC410261	0.688	206.2 Da LogP 0.14 TPSA 78.4	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@H](Cc2ccc(O)cc2)N1`
ZINC410262	0.688	206.2 Da LogP 0.14 TPSA 78.4	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@@H](Cc2ccc(O)cc2)N1`
ZINC5589124	0.688	205.2 Da LogP 0.02 TPSA 84.2	✓ Ro5	Alert	`Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1`
ZINC5589126	0.688	205.2 Da LogP 0.02 TPSA 84.2	✓ Ro5	Alert	`Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1`
ZINC6096554	0.688	206.3 Da LogP 0.60 TPSA 41.1	✓ Ro5	✓ Clean	`O=C1NC(=S)N[C@@H]1Cc1ccccc1`
ZINC6096619	0.688	206.3 Da LogP 0.60 TPSA 41.1	✓ Ro5	✓ Clean	`O=C1NC(=S)N[C@H]1Cc1ccccc1`
ZINC12341748	0.686	222.6 Da LogP 1.52 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)/C(=C\c2cccc(Cl)c2)N1`
ZINC13413571	0.683	257.3 Da LogP 0.71 TPSA 74.0	✓ Ro5	✓ Clean	`C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O`
ZINC247754165	0.674	300.4 Da LogP 0.43 TPSA 100.0	✓ Ro5	✓ Clean	`NCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O`
ZINC34114304	0.674	245.2 Da LogP 0.62 TPSA 94.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)N1`
ZINC100662888	0.667	204.2 Da LogP 0.57 TPSA 78.4	✓ Ro5	✓ Clean	`O=C1NC(=O)/C(=C/c2cccc(O)c2)N1`
ZINC12410471	0.667	202.2 Da LogP 1.18 TPSA 58.2	✓ Ro5	✓ Clean	`Cc1cccc(/C=C2\NC(=O)NC2=O)c1`
ZINC13139308	0.667	204.2 Da LogP 0.57 TPSA 78.4	✓ Ro5	✓ Clean	`O=C1NC(=O)/C(=C\c2cccc(O)c2)N1`
ZINC1875304352	0.667	297.4 Da LogP 1.49 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1CC1CC1`
ZINC2069462964	0.667	297.4 Da LogP 1.49 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@@H](CC2CC2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12`
ZINC208759478	0.667	319.4 Da LogP 2.07 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccc…`
ZINC208759513	0.667	319.4 Da LogP 2.07 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@@H](c2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2cccc…`
ZINC2819805	0.667	218.2 Da LogP 0.21 TPSA 75.3	✓ Ro5	✓ Clean	`O=C1NC(=O)C(Cc2ccccc2)C(=O)N1`
ZINC39365597	0.667	319.4 Da LogP 2.07 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](c2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2ccccc…`
ZINC670451826	0.667	283.3 Da LogP 1.10 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1C1CC1`
ZINC72182	0.667	206.2 Da LogP 1.01 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)/C(=C\c2cccc(F)c2)N1`
ZINC828321135	0.667	283.3 Da LogP 1.10 TPSA 74.0	✓ Ro5	✓ Clean	`O=C1N[C@@H](C2CC2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12`

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.