Protein profile

VK055_4303

acetate kinase

Genome: KpATCC43816

Gene: ackA2 AIK82848.1 Structure source: Experimental + ColabFold UniProt A6TDE9
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Amino acids 404
Annotations 7
Features 34
PDB binders 9
Druggability 0.855

Overview

Basic information about this protein and its source genome.

Accession
VK055_4303
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
ackA2 AIK82848.1
Status
annotated
Amino acids
404
Structure source
Experimental + ColabFold
GO
GO:0016774 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to a carboxyl group (acceptor). GO:0006082 The chemical reactions and pathways involving organic acids, any acidic compound containing carbon in covalent linkage. GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule. GO:0008980 Catalysis of the reaction: ATP + propanoate = ADP + propanoyl phosphate. GO:0051144 The chemical reactions and pathways resulting in the breakdown of propanediol, a sweet, colorless, viscous, hygroscopic liquid with the formula CH3-CHOH-CH2OH. GO:0016310 The process of introducing a phosphate group into a molecule, usually with the formation of a phosphoric ester, a phosphoric anhydride or a phosphoric amide.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Human identity (%)
0.0
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
53.046
DEG E-value
1.32e-155
Localization
Cytoplasmic
ColabFold pLDDT
96.5

Selected Druggability evidence

PDB experimental structure

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 0.855
Structure 7FJA
Pocket Pocket 2
P2Rank 0.682
Structure 7FJ8
Pocket Pocket 1
ColabFold model
FPocket 0.206 · Pocket 1
P2Rank 0.804 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 321 / 4744 genomes with a hit
Normalized 0.068

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:0016774 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to a carboxyl group (acceptor).
  • GO:0006082 The chemical reactions and pathways involving organic acids, any acidic compound containing carbon in covalent linkage.
  • GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.
  • GO:0008980 Catalysis of the reaction: ATP + propanoate = ADP + propanoyl phosphate.
  • GO:0051144 The chemical reactions and pathways resulting in the breakdown of propanediol, a sweet, colorless, viscous, hygroscopic liquid with the formula CH3-CHOH-CH2OH.
  • GO:0016310 The process of introducing a phosphate group into a molecule, usually with the formation of a phosphoric ester, a phosphoric anhydride or a phosphoric amide.
  • GO:0019543 The chemical reactions and pathways resulting in the breakdown of propionate, the anion derived from propionic acid.

Sequence Features

Domain/signature hits from InterPro and related databases.

34 records
Show feature table
Start End DB Term Name
157 392 SUPERFAMILY SSF53067 Actin-like ATPase domain
157 392 InterPro IPR043129 ATPase, nucleotide binding domain
1 195 Gene3D G3DSA:3.30.420.40 -
4 195 SUPERFAMILY SSF53067 Actin-like ATPase domain
4 195 InterPro IPR043129 ATPase, nucleotide binding domain
198 399 Gene3D G3DSA:3.30.420.40 -
4 387 Pfam PF00871 Acetokinase family
4 387 InterPro IPR000890 Aliphatic acid kinase, short-chain
1 398 Hamap MF_00020 Acetate kinase [ackA].
1 398 InterPro IPR004372 Acetate/propionate kinase
203 224 PRINTS PR00471 Acetate kinase family signature
203 224 InterPro IPR000890 Aliphatic acid kinase, short-chain
322 338 PRINTS PR00471 Acetate kinase family signature
322 338 InterPro IPR000890 Aliphatic acid kinase, short-chain
5 16 PRINTS PR00471 Acetate kinase family signature
5 16 InterPro IPR000890 Aliphatic acid kinase, short-chain
374 386 PRINTS PR00471 Acetate kinase family signature
374 386 InterPro IPR000890 Aliphatic acid kinase, short-chain
173 186 PRINTS PR00471 Acetate kinase family signature
173 186 InterPro IPR000890 Aliphatic acid kinase, short-chain
300 313 PRINTS PR00471 Acetate kinase family signature
300 313 InterPro IPR000890 Aliphatic acid kinase, short-chain
3 393 NCBIfam TIGR00016 acetate/propionate family kinase
3 393 InterPro IPR004372 Acetate/propionate kinase
1 393 PANTHER PTHR21060 ACETATE KINASE
1 393 InterPro IPR000890 Aliphatic acid kinase, short-chain
1 396 PIRSF PIRSF000722 Acetate_prop_kin
1 396 InterPro IPR004372 Acetate/propionate kinase
203 220 ProSitePatterns PS01076 Acetate and butyrate kinases family signature 2.
203 220 InterPro IPR023865 Aliphatic acid kinase, short-chain, conserved site
5 16 ProSitePatterns PS01075 Acetate and butyrate kinases family signature 1.
5 16 InterPro IPR023865 Aliphatic acid kinase, short-chain, conserved site
1 392 Hamap MF_01882 Propionate kinase [pduW].
1 392 InterPro IPR024896 Propionate kinase PduW

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

2 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
PDB 7FJ8
X-ray 20.00 Å - —
PDBe RCSB PDBj File
Viewing
PDB 7FJA
X-ray 20.00 Å - —
PDBe RCSB PDBj File
Loaded
ColabFold VK055_4303
ColabFold — — full sequence — Loaded
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

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 48.63 0.978
2 23.39 0.888
3 10.15 0.546
4 5.48 0.261
5 4.63 0.201

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.

59 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
5GP
4FWO
O06961 363.2 Da LogP -2.57 TPSA 206.0 1 viol. ✓ Clean c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O…
AF3
1TUY
P38502 84.0 Da LogP 0.88 TPSA 0.0 ✓ Ro5 ✓ Clean F[Al](F)F
ANP
1X3N
O06961 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)…
APC
4IZ9
A0QLU8 505.2 Da LogP -1.52 TPSA 269.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
AQP
4FWN
O06961 587.2 Da LogP -1.51 TPSA 325.7 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
B4P
2E1Z
O06961 836.4 Da LogP -2.45 TPSA 434.0 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
PIS
1TUU
P38502 193.0 Da LogP -0.26 TPSA 104.1 ✓ Ro5 ✓ Clean OP(=O)(O)O[P@](=O)(O)[S-]
PPI
4XH1
O06961 74.1 Da LogP 0.48 TPSA 37.3 ✓ Ro5 ✓ Clean CCC(=O)O
SIN
4IZ9
A0QLU8 118.1 Da LogP -0.06 TPSA 74.6 ✓ Ro5 ✓ Clean C(CC(=O)O)C(=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.