Protein profile

KP13_04484

putative tonB-dependent receptor

Genome: KpKP13

Gene: AHE44358.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GQG7
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Amino acids 701
Annotations 3
Features 21
PDB binders 7
Druggability 0.826

Overview

Basic information about this protein and its source genome.

Accession
KP13_04484
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE44358.1
Status
annotated
Amino acids
701
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: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). GO:0044718 The directed movement of siderophores, low molecular weight Fe(III)-chelating substances, from one side of a membrane to the other, 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)
N
DEG identity (%)
0.0
Localization
OuterMembrane
ColabFold pLDDT
92.43

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 0.826
Structure A0A0H3GQG7
Pocket Pocket 10
P2Rank 0.974
Structure A0A0H3GQG7
Pocket Pocket 1
ColabFold model
FPocket 0.809 · Pocket 3
P2Rank 0.974 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 71 / 4744 genomes with a hit
Normalized 0.015

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3
  • 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: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).
  • GO:0044718 The directed movement of siderophores, low molecular weight Fe(III)-chelating substances, from one side of a membrane to the other, by means of some agent such as a transporter or pore.

Sequence Features

Domain/signature hits from InterPro and related databases.

21 records
Show feature table
Start End DB Term Name
255 282 MobiDBLite mobidb-lite consensus disorder prediction
20 24 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
20 698 SUPERFAMILY SSF56935 Porins
48 698 CDD cd01347 ligand_gated_channel
1 8 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
1 24 SignalP_EUK SignalP-noTM SignalP-noTM
25 701 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
9 19 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
179 697 Gene3D G3DSA:2.40.170.20 -
179 697 InterPro IPR036942 TonB-dependent receptor-like, beta-barrel domain superfamily
41 152 Pfam PF07715 TonB-dependent Receptor Plug Domain
41 152 InterPro IPR012910 TonB-dependent receptor, plug domain
265 282 MobiDBLite mobidb-lite consensus disorder prediction
1 24 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
1 24 Phobius SIGNAL_PEPTIDE Signal peptide region
251 696 Pfam PF00593 TonB dependent receptor
251 696 InterPro IPR000531 TonB-dependent receptor-like, beta-barrel
14 696 PANTHER PTHR30069 TONB-DEPENDENT OUTER MEMBRANE RECEPTOR
14 696 InterPro IPR039426 TonB-dependent receptor-like
20 163 Gene3D G3DSA:2.170.130.10 -
20 163 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

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_A0A0H3GQG7
AlphaFold — — full sequence — Viewing
ColabFold KP13_04484
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 0.826
2 0.698
46 0.563
1 0.509

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 32.52 0.944
2 19.12 0.835
3 8.54 0.456
4 6.58 0.333
5 4.66 0.203

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
FLC
1PO0
P13036 189.1 Da LogP -5.25 TPSA 140.6 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
FTT
6I98
Q9I116 244.4 Da LogP 3.74 TPSA 57.5 ✓ Ro5 ✓ Clean CCCCCCCCCCC[C@H](CC(=O)O)O
HTO
1KMO
P13036 148.2 Da LogP -0.11 TPSA 60.7 ✓ Ro5 ✓ Clean CCCC[C@H]([C@@H](CO)O)O
LDA
1KMO
P13036 229.4 Da LogP 4.48 TPSA 23.1 ✓ Ro5 ✓ Clean CCCCCCCCCCCC[N+](C)(C)[O-]
OES
2HDF
P17315 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.