Protein profile

VK055_0596

ABC transporter family protein

Genome: KpATCC43816

Gene: AIK79219.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GU20
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Amino acids 234
Annotations 6
Features 21
PDB binders 7
Druggability 0.27

Overview

Basic information about this protein and its source genome.

Accession
VK055_0596
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK79219.1
Status
annotated
Amino acids
234
Structure source
AlphaFold + ColabFold
GO
GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0006826 The directed movement of iron (Fe) ions into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. GO:0016887 Catalysis of the reaction: ATP + H2O = ADP + H+ phosphate. ATP hydrolysis is used in some reactions as an energy source, for example to catalyze a reaction or drive transport against a concentration gradient. GO:0015408 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: ATP + H2O + Fe3+(out) = ADP + phosphate + Fe3+(in). GO:0015697 The directed movement into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore of quaternary ammonium compounds, any compound that can be regarded as derived from ammonium hydroxide or an ammonium salt by replacement of all four hydrogen atoms of the NH4+ ion by organic groups.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
50.0
Human E-value
1e-06
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
50.0
DEG E-value
2.23e-60
Localization
CytoplasmicMembrane
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 0.27
Structure A0A0H3GU20
Pocket Pocket 2
P2Rank 0.255
Structure A0A0H3GU20
Pocket Pocket 1
ColabFold model
FPocket 0.374 · Pocket 3
P2Rank 0.257 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 489 / 4744 genomes with a hit
Normalized 0.103

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

6
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0006826 The directed movement of iron (Fe) ions into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:0016887 Catalysis of the reaction: ATP + H2O = ADP + H+ phosphate. ATP hydrolysis is used in some reactions as an energy source, for example to catalyze a reaction or drive transport against a concentration gradient.
  • GO:0015408 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: ATP + H2O + Fe3+(out) = ADP + phosphate + Fe3+(in).
  • GO:0015697 The directed movement into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore of quaternary ammonium compounds, any compound that can be regarded as derived from ammonium hydroxide or an ammonium salt by replacement of all four hydrogen atoms of the NH4+ ion by organic groups.

Sequence Features

Domain/signature hits from InterPro and related databases.

21 records
Show feature table
Start End DB Term Name
8 225 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
8 225 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
1 18 Phobius SIGNAL_PEPTIDE Signal peptide region
23 169 Pfam PF00005 ABC transporter
23 169 InterPro IPR003439 ABC transporter-like, ATP-binding domain
2 229 Gene3D G3DSA:3.40.50.300 -
2 229 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
8 223 CDD cd03259 ABC_Carb_Solutes_like
8 223 InterPro IPR015853 ABC transporter, ferric cation import, FbpC
8 233 ProSiteProfiles PS50893 ATP-binding cassette, ABC transporter-type domain profile.
8 233 InterPro IPR003439 ABC transporter-like, ATP-binding domain
32 219 SMART SM00382 AAA_5
32 219 InterPro IPR003593 AAA+ ATPase domain
19 234 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
6 225 PANTHER PTHR42781 SPERMIDINE/PUTRESCINE IMPORT ATP-BINDING PROTEIN POTA
6 230 FunFam G3DSA:3.40.50.300:FF:000425 Probable ABC transporter, ATP-binding subunit
142 156 ProSitePatterns PS00211 ABC transporters family signature.
142 156 InterPro IPR017871 ABC transporter-like, conserved site
12 18 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
1 3 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
4 11 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.

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_A0A0H3GU20
AlphaFold — — full sequence — Viewing
ColabFold VK055_0596
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
2 0.27
1 0.007
4 0.002
3 0.001

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 6.17 0.255
2 4.65 0.167
3 1.17 0.009

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
2BA
7AHE
Q9KIF7 658.4 Da LogP -1.63 TPSA 309.7 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)C…
AGS
3C4J
D0VWX4 523.2 Da LogP -1.51 TPSA 262.1 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
ANP
3C41
D0VWX4 506.2 Da LogP -2.06 TPSA 281.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
AT4
2OLK
D0VWX4 443.3 Da LogP -0.81 TPSA 212.4 2 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
BET
7AHH
Q9KIF7 118.2 Da LogP -0.22 TPSA 37.3 ✓ Ro5 ✓ Clean C[N+](C)(C)CC(=O)O
NH4
1G29
Q9YGA6 18.0 Da LogP 0.38 TPSA 36.5 ✓ Ro5 ✓ Clean [NH4+]
POP
2D62
O57933 176.0 Da LogP -2.08 TPSA 129.9 ✓ Ro5 ✓ Clean O[P@@](=O)([O-])O[P@@](=O)(O)[O-]

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.