Protein profile

VK055_2125

malK

Genome: KpATCC43816

Gene: AIK80730.1 malK Structure source: AlphaFold + ColabFold UniProt A0A0H3GNM6
Export view
Amino acids 353
Annotations 7
Features 24
PDB binders 7
Druggability 0.441

Overview

Basic information about this protein and its source genome.

Accession
VK055_2125
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK80730.1 malK
Status
annotated
Amino acids
353
Structure source
AlphaFold + ColabFold
GO
GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0140359 Primary active transporter characterized by two nucleotide-binding domains and two transmembrane domains. Uses the energy generated from ATP hydrolysis to drive the transport of a substance across a membrane. GO:0008643 The directed movement of carbohydrate into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Carbohydrates are a group of organic compounds based of the general formula Cx(H2O)y. 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:0055052 A complex for the transport of metabolites into the cell, consisting of 5 subunits: two ATP-binding subunits, two membrane spanning subunits, and one substrate-binding subunit. In organisms with two membranes, the substrate-binding protein moves freely in the periplasmic space and joins the other subunits only when bound with substrate. In organisms with only one membrane the substrate-binding protein is tethered to the cytoplasmic membrane and associated with the other subunits. Transport of the substrate across the membrane is driven by the hydrolysis of ATP. GO:1990060 Protein complex facilitating ATP-dependent maltose transport through inner cell membrane (periplasm to cytoplasm) in Gram-negative bacteria. In E. coli the system is composed of a periplasmic maltose-binding protein (MBP), two integral membrane proteins, MalF and MalG, and two copies of the cytoplasmic ATP-binding cassette MalK.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
57.143
Human E-value
1.79e-06
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
53.709
DEG E-value
6.770000000000001e-124
Localization
CytoplasmicMembrane
ColabFold pLDDT
92.83

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 0.441
Structure A0A0H3GNM6
Pocket Pocket 28
P2Rank 0.33
Structure A0A0H3GNM6
Pocket Pocket 1
ColabFold model
FPocket 0.756 · Pocket 4
P2Rank 0.203 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 1770 / 4744 genomes with a hit
Normalized 0.373

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Gene Ontology (GO)

7
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
  • GO:0140359 Primary active transporter characterized by two nucleotide-binding domains and two transmembrane domains. Uses the energy generated from ATP hydrolysis to drive the transport of a substance across a membrane.
  • GO:0008643 The directed movement of carbohydrate into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Carbohydrates are a group of organic compounds based of the general formula Cx(H2O)y.
  • 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:0055052 A complex for the transport of metabolites into the cell, consisting of 5 subunits: two ATP-binding subunits, two membrane spanning subunits, and one substrate-binding subunit. In organisms with two membranes, the substrate-binding protein moves freely in the periplasmic space and joins the other subunits only when bound with substrate. In organisms with only one membrane the substrate-binding protein is tethered to the cytoplasmic membrane and associated with the other subunits. Transport of the substrate across the membrane is driven by the hydrolysis of ATP.
  • GO:1990060 Protein complex facilitating ATP-dependent maltose transport through inner cell membrane (periplasm to cytoplasm) in Gram-negative bacteria. In E. coli the system is composed of a periplasmic maltose-binding protein (MBP), two integral membrane proteins, MalF and MalG, and two copies of the cytoplasmic ATP-binding cassette MalK.
  • GO:0015423 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: ATP + H2O + maltose(out) = ADP + phosphate + maltose(in).

Sequence Features

Domain/signature hits from InterPro and related databases.

24 records
Show feature table
Start End DB Term Name
118 132 ProSitePatterns PS00211 ABC transporters family signature.
118 132 InterPro IPR017871 ABC transporter-like, conserved site
3 341 PANTHER PTHR43875 MALTODEXTRIN IMPORT ATP-BINDING PROTEIN MSMX
3 341 InterPro IPR047641 ABC transporter, ATP-binding protein MalK/UgpC-like
2 200 CDD cd03301 ABC_MalK_N
2 200 InterPro IPR015855 ABC transporter, maltose/maltodextrin import, MalK-like
1 222 Gene3D G3DSA:3.40.50.300 -
1 222 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
3 227 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
3 227 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
224 340 Gene3D G3DSA:2.40.50.100 -
219 272 Pfam PF17912 MalK OB fold domain
219 272 InterPro IPR040582 MalK-like, OB fold domain
3 145 Pfam PF00005 ABC transporter
3 145 InterPro IPR003439 ABC transporter-like, ATP-binding domain
1 222 FunFam G3DSA:3.40.50.300:FF:000042 Maltose/maltodextrin ABC transporter, ATP-binding protein
220 340 SUPERFAMILY SSF50331 MOP-like
220 340 InterPro IPR008995 Molybdate/tungstate binding, C-terminal
272 328 Gene3D G3DSA:2.40.50.140 -
272 328 InterPro IPR012340 Nucleic acid-binding, OB-fold
1 218 ProSiteProfiles PS50893 ATP-binding cassette, ABC transporter-type domain profile.
1 218 InterPro IPR003439 ABC transporter-like, ATP-binding domain
12 195 SMART SM00382 AAA_5
12 195 InterPro IPR003593 AAA+ ATPase domain

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...

Legend High Medium Low

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_A0A0H3GNM6
AlphaFold — — full sequence — Viewing
ColabFold VK055_2125
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
28 0.441
2 0.015
27 0.006
20 0.0

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 7.48 0.33
2 6.43 0.271
3 3.95 0.127
4 1.34 0.013

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.