Protein profile

KP13_03484

putative TonB-dependent receptor

Genome: KpKP13

Gene: AHE45861.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GTE5
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Amino acids 736
Annotations 5
Features 25
PDB binders 7
Druggability 0.979

Overview

Basic information about this protein and its source genome.

Accession
KP13_03484
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE45861.1
Status
annotated
Amino acids
736
Structure source
AlphaFold + ColabFold
GO
GO:0009279 A lipid bilayer that forms the outermost membrane of the cell envelope; enriched in polysaccharide and protein; the outer leaflet of the membrane contains specific lipopolysaccharide structures. GO:0015891 The directed movement of siderophores, low molecular weight Fe(III)-chelating substances, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. GO:0015343 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: siderophore-iron(out) + H+(out) = siderophore-iron(in) + H+(in). GO:0038023 Receiving a signal and transmitting it in the cell to initiate a change in cell activity. A signal is a physical entity or change in state that is used to transfer information in order to trigger a response. GO:0015344 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: siderophore-iron(ferrioxamine)(out) + H+(out) = siderophore-iron(ferrioxamine)(in) + H+(in).

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
OuterMembrane
ColabFold pLDDT
91.38

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 0.979
Structure A0A0H3GTE5
Pocket Pocket 55
P2Rank 0.967
Structure A0A0H3GTE5
Pocket Pocket 1
ColabFold model
FPocket 0.638 · Pocket 56
P2Rank 0.985 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 56 / 4744 genomes with a hit
Normalized 0.012

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5
  • GO:0009279 A lipid bilayer that forms the outermost membrane of the cell envelope; enriched in polysaccharide and protein; the outer leaflet of the membrane contains specific lipopolysaccharide structures.
  • GO:0015891 The directed movement of siderophores, low molecular weight Fe(III)-chelating substances, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:0015343 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: siderophore-iron(out) + H+(out) = siderophore-iron(in) + H+(in).
  • GO:0038023 Receiving a signal and transmitting it in the cell to initiate a change in cell activity. A signal is a physical entity or change in state that is used to transfer information in order to trigger a response.
  • GO:0015344 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: siderophore-iron(ferrioxamine)(out) + H+(out) = siderophore-iron(ferrioxamine)(in) + H+(in).

Sequence Features

Domain/signature hits from InterPro and related databases.

25 records
Show feature table
Start End DB Term Name
34 736 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
198 736 Gene3D G3DSA:2.40.170.20 -
198 736 InterPro IPR036942 TonB-dependent receptor-like, beta-barrel domain superfamily
1 17 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
1 33 SignalP_GRAM_NEGATIVE SignalP-noTM SignalP-noTM
719 736 ProSitePatterns PS01156 TonB-dependent receptor proteins signature 2.
719 736 InterPro IPR010917 TonB-dependent receptor, conserved site
1 33 Phobius SIGNAL_PEPTIDE Signal peptide region
89 736 NCBIfam TIGR01783 TonB-dependent siderophore receptor
89 736 InterPro IPR010105 TonB-dependent siderophore receptor
29 33 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
80 736 SUPERFAMILY SSF56935 Porins
256 734 Pfam PF00593 TonB dependent receptor
256 734 InterPro IPR000531 TonB-dependent receptor-like, beta-barrel
18 28 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
88 184 Pfam PF07715 TonB-dependent Receptor Plug Domain
88 184 InterPro IPR012910 TonB-dependent receptor, plug domain
29 736 PANTHER PTHR32552 FERRICHROME IRON RECEPTOR-RELATED
29 736 InterPro IPR039426 TonB-dependent receptor-like
93 736 CDD cd01347 ligand_gated_channel
1 52 ProSitePatterns PS00430 TonB-dependent receptor proteins signature 1.
1 52 InterPro IPR010916 TonB box, conserved site
1 33 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
81 197 Gene3D G3DSA:2.170.130.10 -
81 197 InterPro IPR037066 TonB-dependent receptor, plug domain superfamily

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

3D visualization script Full viewer

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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_A0A0H3GTE5
AlphaFold — — full sequence — Viewing
ColabFold KP13_03484
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
55 0.979
1 0.858

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 29.42 0.931
2 8.02 0.427
3 6.06 0.3
4 3.27 0.114
5 2.65 0.078

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.

57 records

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.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
6L0
6Z8A
Q9I116 598.7 Da LogP 0.63 TPSA 208.9 2 viol. ✓ Clean C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(C/C=C/CC…
C8E
5FP1
D0CAH3 306.4 Da LogP 2.41 TPSA 57.2 ✓ Ro5 ✓ Clean CCCCCCCCOCCOCCOCCOCCO
EFE
3QLB
C5I2D9 378.3 Da LogP 1.23 TPSA 38.5 ✓ Ro5 ✓ Clean C[N@+]12[C@@H]3CS[C@H]1[C@@H]4CSC5=[N+]4[Fe@]2(…
FTT
6I98
Q9I116 244.4 Da LogP 3.74 TPSA 57.5 ✓ Ro5 ✓ Clean CCCCCCCCCCC[C@H](CC(=O)O)O
FV8
6H7F
Q76HJ9 346.3 Da LogP 0.82 TPSA 131.3 ✓ Ro5 Alert C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCc3c[…
OPV
6H7F
Q76HJ9 346.3 Da LogP 0.32 TPSA 127.8 ✓ Ro5 Alert C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cc…
OPZ
6H7F
Q76HJ9 346.3 Da LogP 0.32 TPSA 127.8 ✓ Ro5 Alert C[C@@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3c…

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.