Protein profile

VK055_1213

tonB-dependent siderophore receptor family protein

Genome: KpATCC43816

Gene: AIK79836.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GRL7
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Amino acids 727
Annotations 4
Features 26
PDB binders 13
Druggability 0.996

Overview

Basic information about this protein and its source genome.

Accession
VK055_1213
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK79836.1
Status
annotated
Amino acids
727
Structure source
AlphaFold + ColabFold
GO
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: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.

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 (%)
30.899
Localization
OuterMembrane
ColabFold pLDDT
91.78

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 0.996
Structure A0A0H3GRL7
Pocket Pocket 46
P2Rank 0.951
Structure A0A0H3GRL7
Pocket Pocket 1
ColabFold model
FPocket 0.315 · Pocket 2
P2Rank 0.951 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 94 / 4744 genomes with a hit
Normalized 0.02

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: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: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.

Sequence Features

Domain/signature hits from InterPro and related databases.

26 records
Show feature table
Start End DB Term Name
32 727 SUPERFAMILY SSF56935 Porins
27 727 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
391 420 MobiDBLite mobidb-lite consensus disorder prediction
176 727 FunFam G3DSA:2.40.170.20:FF:000002 Colicin I TonB-dependent receptor
1 9 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
710 727 ProSitePatterns PS01156 TonB-dependent receptor proteins signature 2.
710 727 InterPro IPR010917 TonB-dependent receptor, conserved site
22 26 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
1 26 SignalP_EUK SignalP-noTM SignalP-noTM
256 725 Pfam PF00593 TonB dependent receptor
256 725 InterPro IPR000531 TonB-dependent receptor-like, beta-barrel
52 727 NCBIfam TIGR01783 TonB-dependent siderophore receptor
52 727 InterPro IPR010105 TonB-dependent siderophore receptor
51 165 Pfam PF07715 TonB-dependent Receptor Plug Domain
51 165 InterPro IPR012910 TonB-dependent receptor, plug domain
1 26 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
393 420 MobiDBLite mobidb-lite consensus disorder prediction
51 727 CDD cd01347 ligand_gated_channel
10 21 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
1 26 Phobius SIGNAL_PEPTIDE Signal peptide region
24 170 Gene3D G3DSA:2.170.130.10 -
24 170 InterPro IPR037066 TonB-dependent receptor, plug domain superfamily
11 727 PANTHER PTHR30069 TONB-DEPENDENT OUTER MEMBRANE RECEPTOR
11 727 InterPro IPR039426 TonB-dependent receptor-like
176 727 Gene3D G3DSA:2.40.170.20 -
176 727 InterPro IPR036942 TonB-dependent receptor-like, beta-barrel 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_A0A0H3GRL7
AlphaFold — — full sequence — Viewing
ColabFold VK055_1213
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
46 0.996

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 22.91 0.884
2 12.34 0.647
3 11.79 0.625
4 10.47 0.563
5 9.12 0.488

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.

63 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
8SW
5NC3
Q05098 692.6 Da LogP -1.77 TPSA 296.0 3 viol. Alert C#CCNC(=O)C(CNC(=O)C(CNC(=O)CNC(=O)c1cccc(c1O)O…
8T2
5NC4
Q05098 624.6 Da LogP 1.95 TPSA 237.8 2 viol. Alert c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)NCCCCNC(=…
95B
5NR2
Q05098 418.4 Da LogP 1.29 TPSA 176.4 1 viol. Alert c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)c…
C8E
5FR8
D0C8V9 306.4 Da LogP 2.41 TPSA 57.2 ✓ Ro5 ✓ Clean CCCCCCCCOCCOCCOCCOCCO
EB4
6I2J
Q05098 669.6 Da LogP -0.74 TPSA 287.6 3 viol. Alert c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O…
HEX
2GSK
P06129 86.2 Da LogP 2.59 TPSA 0.0 ✓ Ro5 ✓ Clean CCCCCC
LDA
2GSK
P06129 229.4 Da LogP 4.48 TPSA 23.1 ✓ Ro5 ✓ Clean CCCCCCCCCCCC[N+](C)(C)[O-]
LP5
6Q5E
Q05098 711.9 Da LogP 4.91 TPSA 212.3 2 viol. ✓ Clean CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@…
MPG
2GUF
P06129 356.5 Da LogP 4.92 TPSA 66.8 ✓ Ro5 ✓ Clean CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O
MTN
3RGM
P06129 264.4 Da LogP 1.82 TPSA 57.3 ✓ Ro5 ✓ Clean CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C
OCT
2GSK
P06129 114.2 Da LogP 3.37 TPSA 0.0 ✓ Ro5 ✓ Clean CCCCCCCC
OES
2HDF
P17315 206.4 Da LogP 2.09 TPSA 37.3 ✓ Ro5 ✓ Clean CCCCCCCC[S@@](=O)CCO
OWT
6Y47
Q05098 963.0 Da LogP 1.10 TPSA 299.6 3 viol. Alert CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=…

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.