Protein profile

KP13_05337

putative TonB-dependent receptor

Genome: KpKP13

Gene: AHE44145.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GPE7
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Amino acids 690
Annotations 4
Features 16
PDB binders 8
Druggability 0.976

Overview

Basic information about this protein and its source genome.

Accession
KP13_05337
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE44145.1
Status
annotated
Amino acids
690
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.

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
93.0

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 0.976
Structure A0A0H3GPE7
Pocket Pocket 3
P2Rank 0.994
Structure A0A0H3GPE7
Pocket Pocket 1
ColabFold model
FPocket 0.639 · Pocket 16
P2Rank 0.994 · Pocket 1
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 34 / 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)

4
  • 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.

Sequence Features

Domain/signature hits from InterPro and related databases.

16 records
Show feature table
Start End DB Term Name
49 145 Pfam PF07715 TonB-dependent Receptor Plug Domain
49 145 InterPro IPR012910 TonB-dependent receptor, plug domain
54 690 CDD cd01347 ligand_gated_channel
12 690 SUPERFAMILY SSF56935 Porins
30 155 Gene3D G3DSA:2.170.130.10 -
30 155 InterPro IPR037066 TonB-dependent receptor, plug domain superfamily
673 690 ProSitePatterns PS01156 TonB-dependent receptor proteins signature 2.
673 690 InterPro IPR010917 TonB-dependent receptor, conserved site
156 690 Gene3D G3DSA:2.40.170.20 -
156 690 InterPro IPR036942 TonB-dependent receptor-like, beta-barrel domain superfamily
50 690 NCBIfam TIGR01783 TonB-dependent siderophore receptor
50 690 InterPro IPR010105 TonB-dependent siderophore receptor
224 688 Pfam PF00593 TonB dependent receptor
224 688 InterPro IPR000531 TonB-dependent receptor-like, beta-barrel
6 690 PANTHER PTHR32552 FERRICHROME IRON RECEPTOR-RELATED
6 690 InterPro IPR039426 TonB-dependent receptor-like

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

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_A0A0H3GPE7
AlphaFold — — full sequence — Viewing
ColabFold KP13_05337
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
3 0.976
1 0.873
47 0.78
2 0.733

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 52.03 0.982
2 8.31 0.443
3 7.09 0.368
4 4.33 0.18
5 3.83 0.149

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.

58 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…
BOG
6BPO
P75780 292.4 Da LogP 0.16 TPSA 99.4 ✓ Ro5 ✓ Clean CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)…
C8E
6I98
Q9I116 306.4 Da LogP 2.41 TPSA 57.2 ✓ Ro5 ✓ Clean CCCCCCCCOCCOCCOCCOCCO
DPO
1QJQ
P06971 173.9 Da LogP -3.34 TPSA 135.6 ✓ Ro5 ✓ Clean [O-]P(=O)([O-])OP(=O)([O-])[O-]
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
1QJQ
P06971 244.4 Da LogP 3.74 TPSA 57.5 ✓ Ro5 ✓ Clean CCCCCCCCCCC[C@H](CC(=O)O)O
LDA
1XKW
P42512 229.4 Da LogP 4.48 TPSA 23.1 ✓ Ro5 ✓ Clean CCCCCCCCCCCC[N+](C)(C)[O-]
OES
1BY3
P06971 206.4 Da LogP 2.09 TPSA 37.3 ✓ Ro5 ✓ Clean CCCCCCCC[S@@](=O)CCO

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.