Protein profile

KP13_03380

putative MFS general substrate transporter

Genome: KpKP13

Gene: AHE45759.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GTT0

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Amino acids 452

Annotations 7

Features 51

PDB binders 0

Druggability 0.745

Overview

Basic information about this protein and its source genome.

Accession: KP13_03380
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE45759.1
Status: annotated
Amino acids: 452
Structure source: AlphaFold + ColabFold

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: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).

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 31.25
Human E-value: 7.93e-10
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: CytoplasmicMembrane
ColabFold pLDDT: 88.02

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 0.745

Structure A0A0H3GTT0

Pocket Pocket 8

P2Rank 0.943

Structure A0A0H3GTT0

Pocket Pocket 1

ColabFold model

FPocket 0.769 · Pocket 6

P2Rank 0.946 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 9 / 4744 genomes with a hit

Normalized 0.002

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Gene Ontology (GO)

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: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 Features

Domain/signature hits from InterPro and related databases.

51 records

Show feature table

Start	End	DB	Term	Name
32	49	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
149	159	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
264	282	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
29	51	TMHMM	TMhelix	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.
88	98	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.
315	335	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
233	450	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
233	450	InterPro	IPR036259	MFS transporter superfamily
20	222	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
20	222	InterPro	IPR036259	MFS transporter superfamily
181	185	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.
27	441	ProSiteProfiles	PS50850	Major facilitator superfamily (MFS) profile.
27	441	InterPro	IPR020846	Major facilitator superfamily domain
69	87	Phobius	TRANSMEMBRANE	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.
18	434	SUPERFAMILY	SSF103473	MFS general substrate transporter
18	434	InterPro	IPR036259	MFS transporter superfamily
304	314	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
376	398	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
341	364	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
245	263	Phobius	TRANSMEMBRANE	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.
313	332	TMHMM	TMhelix	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.
205	244	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
186	204	Phobius	TRANSMEMBRANE	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.
100	122	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.
126	148	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.
99	123	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.
28	434	CDD	cd17312	MFS_OPA_SLC37
21	442	PANTHER	PTHR43826	GLUCOSE-6-PHOSPHATE EXCHANGER SLC37A4
160	180	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
376	398	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
416	438	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
440	452	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
399	417	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
342	364	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
155	177	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
239	258	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
418	439	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
9	451	PIRSF	PIRSF002808	Hexose_phosphate_transp
9	451	InterPro	IPR000849	Sugar phosphate transporter

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_A0A0H3GTT0	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_03380	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
8				0.745
7				0.66
3				0.208

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	24.39	0.898
2	2.5	0.07
3	1.8	0.034

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
6				0.769
19				0.567
24				0.417
10				0.311

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	26.83	0.917
2	2.99	0.097
3	2.89	0.092
4	1.57	0.024
5	1.5	0.022

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

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.

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	O43826	8.70	604.1 Da LogP 4.05 TPSA 144.0	1 viol.	✓ Clean	`O=C(/C=C(/c1ccccc1)n1cnc2ncccc21)O[C@@H]1C[C@](…`
CHEMBL238371	O43826	8.30	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	O43826	7.10	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	O43826	6.89	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	O43826	6.68	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	O43826	6.48	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	O43826	6.29	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	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	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	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	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	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	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	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	0.538	398.3 Da LogP 3.77 TPSA 85.1	✓ Ro5	✓ Clean	`Cc1nc2nc(-c3cccnc3)nn2cc1C(=O)Nc1cccc(C(F)(F)F)…`
ZINC20148987	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	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	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	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	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	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.