Protein profile

KP13_05285

putative high-affinity branched-chain amino acid transporter periplasmic binding component

Genome: KpKP13

Gene: AHE44692.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GT65

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Amino acids 423

Annotations 1

Features 24

PDB binders 5

Druggability 0.341

Overview

Basic information about this protein and its source genome.

Accession: KP13_05285
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE44692.1
Status: annotated
Amino acids: 423
Structure source: AlphaFold + ColabFold

GO:0006865 The directed movement of amino acids, organic acids containing one or more amino substituents, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 77.143
DEG E-value: 0.0
Localization: Unknown
ColabFold pLDDT: 93.63

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 0.341

Structure A0A0H3GT65

Pocket Pocket 10

P2Rank 0.192

Structure A0A0H3GT65

Pocket Pocket 1

ColabFold model

FPocket 0.265 · Pocket 4

P2Rank 0.087 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 120 / 4744 genomes with a hit

Normalized 0.025

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

GO:0006865 The directed movement of amino acids, organic acids containing one or more amino substituents, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.

Sequence Features

Domain/signature hits from InterPro and related databases.

24 records

Show feature table

Start	End	DB	Term	Name
5	16	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
290	303	PRINTS	PR00337	Leu/Ile/Val-binding protein family signature
290	303	InterPro	IPR000709	Leu/Ile/Val-binding protein
31	47	PRINTS	PR00337	Leu/Ile/Val-binding protein family signature
31	47	InterPro	IPR000709	Leu/Ile/Val-binding protein
53	69	PRINTS	PR00337	Leu/Ile/Val-binding protein family signature
53	69	InterPro	IPR000709	Leu/Ile/Val-binding protein
34	375	Gene3D	G3DSA:3.40.50.2300	-
28	423	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	27	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
32	394	CDD	cd06355	PBP1_FmdD-like
32	394	InterPro	IPR017777	Urea ABC transporter, substrate-binding protein UrtA-like
146	390	Gene3D	G3DSA:3.40.50.2300	-
31	404	NCBIfam	TIGR03407	urea ABC transporter substrate-binding protein
31	404	InterPro	IPR017777	Urea ABC transporter, substrate-binding protein UrtA-like
30	409	SUPERFAMILY	SSF53822	Periplasmic binding protein-like I
30	409	InterPro	IPR028082	Periplasmic binding protein-like I
1	27	SignalP_EUK	SignalP-noTM	SignalP-noTM
401	423	MobiDBLite	mobidb-lite	consensus disorder prediction
31	407	Pfam	PF13433	Periplasmic binding protein domain
1	416	PANTHER	PTHR47628	-
1	4	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
1	27	Phobius	SIGNAL_PEPTIDE	Signal peptide region
17	27	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.

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_A0A0H3GT65	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_05285	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
10				0.341
9				0.22

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	Sticks	Spheres	Surfaces	Score	Probability	Labels	Zoom	Positions
1				3.48	0.127
2				1.35	0.016

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
4				0.265

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	Sticks	Spheres	Surfaces	Score	Probability	Labels	Zoom	Positions
1				1.81	0.034

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
ACM	1PEA	P27017	59.1 Da LogP -0.51 TPSA 43.1	✓ Ro5	✓ Clean	`CC(=O)N`
BMD	1QNL	P27017	87.1 Da LogP 0.27 TPSA 43.1	✓ Ro5	✓ Clean	`CCCC(=O)N`
DHB	4EYK	Q13AR6	154.1 Da LogP 0.80 TPSA 77.8	✓ Ro5	Alert	`c1cc(c(cc1C(=O)O)O)O`
PHB	4EY3	Q13AR6	138.1 Da LogP 1.09 TPSA 57.5	✓ Ro5	✓ Clean	`c1cc(ccc1C(=O)O)O`
VNL	4EYG	Q13AR6	167.1 Da LogP -0.24 TPSA 69.6	✓ Ro5	✓ Clean	`COc1cc(ccc1O)C(=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).

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
ZINC389804	0.842	214.2 Da LogP 2.76 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(O)cc2)cc1`
ZINC1747299	0.750	302.3 Da LogP 2.18 TPSA 93.1	✓ Ro5	Alert	`COc1cc(C(=O)C(=O)c2ccc(O)c(OC)c2)ccc1O`
ZINC33246180	0.727	242.2 Da LogP 3.51 TPSA 82.2	✓ Ro5	Alert	`O=C(O)c1ccc(N=Nc2ccc(O)cc2)cc1`
ZINC3896282	0.727	242.2 Da LogP 3.51 TPSA 82.2	✓ Ro5	Alert	`O=C(O)c1ccc(/N=N/c2ccc(O)cc2)cc1`
ZINC392302	0.727	230.2 Da LogP 2.88 TPSA 66.8	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Oc2ccc(O)cc2)cc1`
ZINC289893	0.696	278.3 Da LogP 1.92 TPSA 91.7	✓ Ro5	✓ Clean	`O=C(O)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1`
ZINC1595860	0.677	316.3 Da LogP 2.48 TPSA 82.1	✓ Ro5	Alert	`COc1cc(C(=O)C(=O)c2ccc(OC)c(OC)c2)ccc1O`
ZINC114185151	0.667	298.2 Da LogP 2.15 TPSA 108.7	✓ Ro5	Alert	`O=C(O)c1ccc(C(=O)C(=O)c2ccc(C(=O)O)cc2)cc1`
ZINC2924369	0.667	242.2 Da LogP 2.16 TPSA 74.6	✓ Ro5	Alert	`O=C(C(=O)c1ccc(O)cc1)c1ccc(O)cc1`
ZINC103291148	0.656	356.4 Da LogP 3.52 TPSA 93.1	✓ Ro5	✓ Clean	`COc1cc(C(=O)/C(C)=C(/C)C(=O)c2ccc(O)c(OC)c2)ccc…`
ZINC3156317	0.640	258.2 Da LogP 2.31 TPSA 83.8	✓ Ro5	✓ Clean	`O=C(O)c1ccc(OC(=O)c2ccc(O)cc2)cc1`
ZINC4903179	0.640	257.2 Da LogP 2.34 TPSA 86.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(NC(=O)c2ccc(O)cc2)cc1`
ZINC134079	0.632	242.2 Da LogP 2.75 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1`
ZINC1640789	0.632	374.3 Da LogP 3.55 TPSA 108.7	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc…`
ZINC1693895	0.632	227.4 Da LogP 4.17 TPSA 43.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(N)=O`
ZINC2146859	0.632	270.2 Da LogP 2.31 TPSA 91.7	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1`
ZINC2170606	0.632	213.4 Da LogP 3.78 TPSA 43.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(N)=O`
ZINC28449	0.632	214.2 Da LogP 2.33 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(c1ccc(O)cc1)c1ccc(O)cc1`
ZINC3147211	0.632	318.3 Da LogP 4.42 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1`
ZINC332365	0.632	318.3 Da LogP 3.56 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(c1ccc(O)cc1)c1ccc(C(=O)c2ccc(O)cc2)cc1`
ZINC86040350	0.632	241.4 Da LogP 4.56 TPSA 43.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCC(N)=O`
ZINC8689949	0.632	255.4 Da LogP 4.95 TPSA 43.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCC(N)=O`
ZINC1705144	0.619	226.2 Da LogP 2.46 TPSA 54.4	✓ Ro5	Alert	`O=C(C(=O)c1ccc(O)cc1)c1ccccc1`
ZINC1747330	0.618	362.3 Da LogP 2.13 TPSA 111.5	✓ Ro5	✓ Clean	`COc1cc(C(=O)OCCOC(=O)c2ccc(O)c(OC)c2)ccc1O`
ZINC38237511	0.618	242.3 Da LogP 2.94 TPSA 46.5	✓ Ro5	✓ Clean	`COc1cc(C(=O)c2ccc(C)cc2)ccc1O`
ZINC262158	0.615	214.2 Da LogP 2.33 TPSA 57.5	✓ Ro5	Alert	`O=C(c1ccccc1)c1ccc(O)c(O)c1`
ZINC2384798	0.607	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC49181262	0.600	372.4 Da LogP 2.73 TPSA 105.6	✓ Ro5	✓ Clean	`COc1cc(C(=O)[C@@]2(C)O[C@@]2(C)C(=O)c2ccc(O)c(O…`
ZINC49181265	0.600	372.4 Da LogP 2.73 TPSA 105.6	✓ Ro5	✓ Clean	`COc1cc(C(=O)[C@@]2(C)O[C@]2(C)C(=O)c2ccc(O)c(OC…`
ZINC49181268	0.600	372.4 Da LogP 2.73 TPSA 105.6	✓ Ro5	✓ Clean	`COc1cc(C(=O)[C@]2(C)O[C@@]2(C)C(=O)c2ccc(O)c(OC…`
ZINC6338454	0.593	268.3 Da LogP 2.99 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1`
ZINC2391059	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](C)CC`
ZINC40472549	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(=O)O)[C@@H](C)…`
ZINC40490721	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](NC(=O)[C@@H](N)[C@H](C)CC)C(=O…`
ZINC5909388	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@H](C)CC)C(=O)O`
ZINC1747304	0.583	288.3 Da LogP 2.54 TPSA 76.0	✓ Ro5	✓ Clean	`COc1cc(CC(=O)c2ccc(O)c(OC)c2)ccc1O`
ZINC266	0.583	223.3 Da LogP 1.88 TPSA 49.8	✓ Ro5	✓ Clean	`CCN(CC)C(=O)c1ccc(O)c(OC)c1`
ZINC36108805	0.583	224.2 Da LogP 1.45 TPSA 83.8	✓ Ro5	✓ Clean	`COc1cc(C(=O)CCC(=O)O)ccc1O`
ZINC65340137	0.583	258.2 Da LogP 2.46 TPSA 94.8	✓ Ro5	✓ Clean	`O=C(O)c1cc(C(=O)O)cc(-c2ccc(O)cc2)c1`
ZINC167246	0.571	248.0 Da LogP 1.99 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(I)cc1`
ZINC3269660	0.571	254.2 Da LogP 2.45 TPSA 71.4	✓ Ro5	Alert	`O=C(O)c1ccc(C(=O)C(=O)c2ccccc2)cc1`
ZINC34573580	0.571	496.5 Da LogP 4.86 TPSA 149.2	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(c2ccc(C(=O)O)cc2)(c2ccc(C(=O)O)cc…`
ZINC388063	0.571	201.0 Da LogP 2.15 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Br)cc1`
ZINC13340359	0.568	212.2 Da LogP -0.06 TPSA 87.0	✓ Ro5	✓ Clean	`COc1cc(C(=O)[C@H](O)CO)ccc1O`
ZINC13340360	0.568	212.2 Da LogP -0.06 TPSA 87.0	✓ Ro5	✓ Clean	`COc1cc(C(=O)[C@@H](O)CO)ccc1O`
ZINC1668317	0.568	210.2 Da LogP 1.97 TPSA 55.8	✓ Ro5	✓ Clean	`CCCOC(=O)c1ccc(O)c(OC)c1`
ZINC1747307	0.568	304.3 Da LogP 2.03 TPSA 96.2	✓ Ro5	✓ Clean	`COc1cc(C(=O)[C@H](O)c2ccc(O)c(OC)c2)ccc1O`
ZINC2042188	0.568	304.3 Da LogP 2.03 TPSA 96.2	✓ Ro5	✓ Clean	`COc1cc(C(=O)[C@@H](O)c2ccc(O)c(OC)c2)ccc1O`
ZINC75616154	0.568	208.3 Da LogP 2.77 TPSA 46.5	✓ Ro5	✓ Clean	`CCCCC(=O)c1ccc(O)c(OC)c1`
ZINC82722760	0.568	238.2 Da LogP 1.54 TPSA 72.8	✓ Ro5	✓ Clean	`COC(=O)CCC(=O)c1ccc(O)c(OC)c1`

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.