Protein profile

VK055_1207

putative outer membrane receptor for iron transport

Genome: KpATCC43816

Gene: AIK79830.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GNA8
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Amino acids 761
Annotations 5
Features 24
PDB binders 6
Druggability 0.723

Overview

Basic information about this protein and its source genome.

Accession
VK055_1207
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK79830.1
Status
annotated
Amino acids
761
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. 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 (%)
27.559
Localization
OuterMembrane
ColabFold pLDDT
92.73

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 0.723
Structure A0A0H3GNA8
Pocket Pocket 17
P2Rank 0.991
Structure A0A0H3GNA8
Pocket Pocket 1
ColabFold model
FPocket 0.974 · Pocket 46
P2Rank 0.994 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 23 / 4744 genomes with a hit
Normalized 0.005

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: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.
  • 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.

24 records
Show feature table
Start End DB Term Name
23 761 PANTHER PTHR32552 FERRICHROME IRON RECEPTOR-RELATED
23 761 InterPro IPR039426 TonB-dependent receptor-like
69 168 Pfam PF07715 TonB-dependent Receptor Plug Domain
69 168 InterPro IPR012910 TonB-dependent receptor, plug domain
63 761 SUPERFAMILY SSF56935 Porins
70 761 NCBIfam TIGR01783 TonB-dependent siderophore receptor
70 761 InterPro IPR010105 TonB-dependent siderophore receptor
26 32 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
1 24 SignalP_EUK SignalP-noTM SignalP-noTM
51 179 FunFam G3DSA:2.170.130.10:FF:000001 Catecholate siderophore TonB-dependent receptor
1 32 Phobius SIGNAL_PEPTIDE Signal peptide region
243 759 Pfam PF00593 TonB dependent receptor
243 759 InterPro IPR000531 TonB-dependent receptor-like, beta-barrel
54 179 Gene3D G3DSA:2.170.130.10 -
54 179 InterPro IPR037066 TonB-dependent receptor, plug domain superfamily
184 761 Gene3D G3DSA:2.40.170.20 -
184 761 InterPro IPR036942 TonB-dependent receptor-like, beta-barrel domain superfamily
74 761 CDD cd01347 ligand_gated_channel
33 761 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 49 ProSitePatterns PS00430 TonB-dependent receptor proteins signature 1.
1 49 InterPro IPR010916 TonB box, conserved site
1 13 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
14 25 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
1 32 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM

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_A0A0H3GNA8
AlphaFold — — full sequence — Viewing
ColabFold VK055_1207
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
17 0.723
36 0.364
2 0.243
1 0.233

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 19.54 0.841
2 15.14 0.746
3 9.25 0.496
4 7.47 0.392
5 5.24 0.245

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.

56 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
5FP1
D0CAH3 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-]
FTT
1QJQ
P06971 244.4 Da LogP 3.74 TPSA 57.5 ✓ Ro5 ✓ Clean CCCCCCCCCCC[C@H](CC(=O)O)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.