Protein profile

KP13_00263

Inner membrane protein

Genome: KpKP13

Gene: AHE42175.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GZY1

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Amino acids 401

Annotations 3

Features 53

PDB binders 4

Druggability 0.783

Overview

Basic information about this protein and its source genome.

Accession: KP13_00263
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE42175.1
Status: annotated
Amino acids: 401
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.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 28.723
Human E-value: 8.68e-06
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: CytoplasmicMembrane
ColabFold pLDDT: 91.32

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 0.783

Structure A0A0H3GZY1

Pocket Pocket 11

P2Rank 0.793

Structure A0A0H3GZY1

Pocket Pocket 1

ColabFold model

FPocket 0.967 · Pocket 21

P2Rank 0.841 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 82 / 4744 genomes with a hit

Normalized 0.017

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 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.

Sequence Features

Domain/signature hits from InterPro and related databases.

53 records

Show feature table

Start	End	DB	Term	Name
34	44	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
96	100	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
239	249	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
308	330	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
187	216	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
385	401	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
9	384	NCBIfam	TIGR00890	oxalate/formate antiport family MFS transporter
9	384	InterPro	IPR004741	Oxalate/formate antiporter family transporter
303	307	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
272	282	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
23	231	Pfam	PF07690	Major Facilitator Superfamily
23	231	InterPro	IPR011701	Major facilitator superfamily
101	122	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
9	393	ProSiteProfiles	PS50850	Major facilitator superfamily (MFS) profile.
9	393	InterPro	IPR020846	Major facilitator superfamily domain
208	400	FunFam	G3DSA:1.20.1250.20:FF:000166	Inner membrane protein YhjX
45	66	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
210	399	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
210	399	InterPro	IPR036259	MFS transporter superfamily
252	274	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
362	366	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
134	154	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
166	186	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
12	34	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
6	196	FunFam	G3DSA:1.20.1250.20:FF:000194	Inner membrane protein yhjX
44	66	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
10	374	CDD	cd17353	MFS_OFA_like
100	122	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
4	196	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
4	196	InterPro	IPR036259	MFS transporter superfamily
218	237	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
73	95	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
343	362	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
331	341	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
155	165	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
169	186	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
8	389	SUPERFAMILY	SSF103473	MFS general substrate transporter
8	389	InterPro	IPR036259	MFS transporter superfamily
1	11	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
217	238	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
281	303	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
78	95	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
123	133	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
250	271	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
10	374	PANTHER	PTHR11360	MONOCARBOXYLATE TRANSPORTER
342	361	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
366	388	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
367	384	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
283	302	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
67	77	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
12	33	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
308	330	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
135	154	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_A0A0H3GZY1	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_00263	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
11				0.783

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	10.93	0.586
2	4.51	0.193
3	3.71	0.141
4	2.58	0.074
5	1.07	0.007

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
21				0.967
13				0.234

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	18.8	0.83
2	4.37	0.183
3	1.76	0.032
4	0.74	0.002

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.

56 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
02Q	6ZGU	A0LNN5	164.2 Da LogP 2.01 TPSA 37.3	✓ Ro5	✓ Clean	`Cc1ccccc1CCC(=O)O`
1HN	6ZGR	A0LNN5	188.2 Da LogP 2.24 TPSA 57.5	✓ Ro5	✓ Clean	`c1ccc2c(c1)ccc(c2O)C(=O)O`
FIV	6ZGT	A0LNN5	172.2 Da LogP 2.54 TPSA 37.3	✓ Ro5	✓ Clean	`c1ccc2cc(ccc2c1)C(=O)O`
HCI	6ZGS	A0LNN5	150.2 Da LogP 1.70 TPSA 37.3	✓ Ro5	✓ Clean	`c1ccc(cc1)CCC(=O)O`

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
CHEMBL3335793	O60669	7.70	515.5 Da LogP 2.12 TPSA 122.5	1 viol.	✓ Clean	`Cc1[nH]nc(C(F)(F)F)c1Cc1sc2c(c1C(=O)N1C[C@](C)(…`
CHEMBL5723356	O60669	6.60	529.1 Da LogP 3.19 TPSA 97.4	1 viol.	✓ Clean	`CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)…`

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
ZINC14977605	0.985	492.6 Da LogP 2.76 TPSA 97.4	✓ Ro5	✓ Clean	`CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)…`
ZINC164010	0.870	222.2 Da LogP 3.69 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2cc3ccccc3cc2c1`
ZINC156288	0.810	216.2 Da LogP 2.24 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc2cc(C(=O)O)ccc2c1`
ZINC406914	0.800	222.2 Da LogP 1.72 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(CCC(=O)O)cc1`
ZINC2528279	0.773	216.2 Da LogP 2.24 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccc(C(=O)O)cc2c1`
ZINC406170	0.767	292.3 Da LogP 3.47 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1C(=O)c1ccc2ccccc2c1O`
ZINC9998612	0.750	226.3 Da LogP 3.37 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(-c2ccccc2)cc1`
ZINC2163727	0.739	222.2 Da LogP 1.72 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCc1cccc(CCC(=O)O)c1`
ZINC2599161	0.739	266.3 Da LogP 3.39 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc2cc3cc(C(=O)O)ccc3cc2c1`
ZINC1673354	0.727	238.3 Da LogP 3.82 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(CCc1ccccc1)CCc1ccccc1`
ZINC1693912	0.727	266.3 Da LogP 3.39 TPSA 34.1	✓ Ro5	Alert	`O=C(CCc1ccccc1)C(=O)CCc1ccccc1`
ZINC3844983	0.720	260.3 Da LogP 3.91 TPSA 34.1	✓ Ro5	Alert	`O=C(C(=O)c1ccc2ccccc2c1)c1ccccc1`
ZINC2529014	0.704	248.3 Da LogP 4.21 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc3ccccc3c2)cc1`
ZINC39428991	0.704	222.2 Da LogP 3.69 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2c(ccc3ccccc32)c1`
ZINC44672411	0.704	248.3 Da LogP 4.21 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2cc(-c3ccccc3)ccc2c1`
ZINC2516358	0.700	224.3 Da LogP 3.81 TPSA 17.1	✓ Ro5	✓ Clean	`Cc1ccccc1CCC(=O)c1ccccc1`
ZINC143280795	0.694	430.4 Da LogP 2.68 TPSA 110.0	✓ Ro5	✓ Clean	`Cc1[nH]nc(C(F)(F)F)c1Cc1sc2c(c1C(=O)O)c(=O)n(C)…`
ZINC1680758	0.692	232.3 Da LogP 4.07 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1ccccc1)c1ccc2ccccc2c1`
ZINC247409588	0.692	220.3 Da LogP 2.44 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)CCCC(=O)CCc1ccccc1`
ZINC29563531	0.692	200.2 Da LogP 2.11 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)C(=O)c1ccc2ccccc2c1`
ZINC1558609	0.680	248.4 Da LogP 4.43 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCc1ccccc1`
ZINC2510086	0.680	262.4 Da LogP 4.82 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCc1ccccc1`
ZINC2575483	0.680	206.3 Da LogP 3.26 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCc1ccccc1`
ZINC2575484	0.680	220.3 Da LogP 3.65 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCc1ccccc1`
ZINC2575485	0.680	234.3 Da LogP 4.04 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCc1ccccc1`
ZINC71256874	0.679	248.3 Da LogP 4.21 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccc(-c3ccccc3)cc2c1`
ZINC84551502	0.677	243.1 Da LogP 2.77 TPSA 37.3	✓ Ro5	✓ Clean	`Cc1cccc(CCC(=O)O)c1Br`
ZINC11962728	0.667	242.3 Da LogP 3.50 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(Oc2ccccc2)cc1`
ZINC1727327	0.667	208.2 Da LogP 1.33 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCc1ccccc1CC(=O)O`
ZINC19436641	0.667	203.2 Da LogP 1.66 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(NO)c1ccc2ccccc2c1O`
ZINC345518	0.667	222.2 Da LogP 3.69 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccc3ccccc3c2c1`
ZINC49820418	0.667	226.3 Da LogP 3.37 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCc1cccc(-c2ccccc2)c1`
ZINC100476725	0.656	290.3 Da LogP 4.00 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(CC(=O)c1ccc2ccccc2c1O)c1ccccc1`
ZINC71392	0.656	263.3 Da LogP 3.80 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1)c1ccc2ccccc2c1O`
ZINC1512447	0.655	276.3 Da LogP 3.77 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1C(=O)c1ccc2ccccc2c1`
ZINC156804	0.655	251.1 Da LogP 3.30 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccccc2c1Br`
ZINC1571200	0.655	216.2 Da LogP 2.24 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc2ccccc2c1C(=O)O`
ZINC163985	0.655	256.3 Da LogP 3.28 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(OCc2ccccc2)cc1`
ZINC2529015	0.655	248.3 Da LogP 4.21 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cccc(-c2ccc3ccccc3c2)c1`
ZINC144318170	0.654	214.2 Da LogP 2.74 TPSA 54.4	✓ Ro5	✓ Clean	`CC(=O)c1ccc2cc(C(=O)O)ccc2c1`
ZINC6535079	0.654	204.2 Da LogP 1.95 TPSA 77.8	✓ Ro5	Alert	`O=C(O)c1ccc2cc(O)c(O)cc2c1`
ZINC1667321	0.645	200.2 Da LogP 3.14 TPSA 37.3	✓ Ro5	✓ Clean	`CCC(=O)c1ccc2ccccc2c1O`
ZINC19837284	0.645	201.2 Da LogP 1.90 TPSA 49.3	✓ Ro5	✓ Clean	`CNC(=O)c1ccc2ccccc2c1O`
ZINC2516359	0.645	238.3 Da LogP 4.12 TPSA 17.1	✓ Ro5	✓ Clean	`Cc1ccccc1CCC(=O)c1ccccc1C`
ZINC2516382	0.645	252.4 Da LogP 4.43 TPSA 17.1	✓ Ro5	✓ Clean	`Cc1ccccc1CCC(=O)c1c(C)cccc1C`
ZINC2378594	0.643	224.2 Da LogP 3.58 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1ccc2ccccc2c1)C(F)(F)F`
ZINC3132463	0.643	212.3 Da LogP 4.07 TPSA 17.1	✓ Ro5	✓ Clean	`CC(C)(C)C(=O)c1ccc2ccccc2c1`
ZINC394670686	0.643	273.5 Da LogP 4.39 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(c1ccc2ccccc2c1)C(Cl)(Cl)Cl`
ZINC1089845	0.640	210.3 Da LogP 3.50 TPSA 17.1	✓ Ro5	✓ Clean	`O=C(CCc1ccccc1)c1ccccc1`
ZINC1663872	0.640	276.1 Da LogP 2.31 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCc1ccc(I)cc1`

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.