Protein profile

PA3686

adenylate kinase

Genome: NC_002516.2

Gene: adk PA3686 Structure source: AlphaFold UniProt Q9HXV4
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Amino acids 215
Annotations 12
Features 28
PDB binders 5
Druggability 0.689

Overview

Basic information about this protein and its source genome.

Accession
PA3686
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
adk PA3686
Status
annotated
Amino acids
215
Structure source
AlphaFold
EC
2.7.4.3
GO
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0004017 Catalysis of the reaction: ATP + AMP = 2 ADP. GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0004550 Catalysis of the reaction: ATP + nucleoside diphosphate = ADP + nucleoside triphosphate. GO:0044209 The chemical reactions and pathways resulting in the formation of adenosine monophosphate (AMP) from derivatives of it (either adenine, ADP or adenosine 3',5'-bisphosphate) without de novo synthesis.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
53.191
Human E-value
1.98e-30
Gut microbiome off-target
hit
Essential (DEG)
Y
Localization
Cytoplasmic

Selected Druggability evidence

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 0.689
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MRVILLGAPGAGKGTQARFITEKFGIPQISTGDMLRAAVKAGSPLGQQVKGVMDSGGLVSDDIIIALIKERITEADCAKGFLFDGFPRTIPQAEALKDAGVTIDHVVEIAVDDEEIVSRIAGRRVHPASGRVYHTEHNPPKVAGKDDVTGEELIQREDDKEETVRHRLSVYHSQTKPLVDFYQKLSAAEGTPKYHSIAGVGSVEQITAKVLSALS

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 11 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

11
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0004017 Catalysis of the reaction: ATP + AMP = 2 ADP.
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
  • GO:0004550 Catalysis of the reaction: ATP + nucleoside diphosphate = ADP + nucleoside triphosphate.
  • GO:0044209 The chemical reactions and pathways resulting in the formation of adenosine monophosphate (AMP) from derivatives of it (either adenine, ADP or adenosine 3',5'-bisphosphate) without de novo synthesis.
  • GO:0009132 The chemical reactions and pathways involving a nucleoside diphosphate, a compound consisting of a nucleobase linked to a deoxyribose or ribose sugar esterified with diphosphate on the sugar.
  • GO:0009123 The chemical reactions and pathways involving a nucleoside monophosphate, a compound consisting of a nucleobase linked to a deoxyribose or ribose sugar esterified with phosphate on the sugar.
  • GO:0016776 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to a phosphate group (acceptor).
  • GO:0006139 Any cellular metabolic process involving nucleobases, nucleosides, nucleotides and nucleic acids.
  • GO:0019205 Catalysis of the transfer of a phosphate group, usually from ATP or GTP, to a nucleobase, nucleoside, nucleotide or polynucleotide substrate.

Sequence Features

Domain/signature hits from InterPro and related databases.

28 records
Show feature table
Start End DB Term Name
2 206 CDD cd01428 ADK
2 206 InterPro IPR000850 Adenylate kinase/UMP-CMP kinase
81 92 ProSitePatterns PS00113 Adenylate kinase signature.
81 92 InterPro IPR033690 Adenylate kinase, conserved site
1 215 Hamap MF_00235 Adenylate kinase [adk].
1 215 InterPro IPR000850 Adenylate kinase/UMP-CMP kinase
2 210 PANTHER PTHR23359 NUCLEOTIDE KINASE
2 210 InterPro IPR000850 Adenylate kinase/UMP-CMP kinase
1 215 FunFam G3DSA:3.40.50.300:FF:000106 Adenylate kinase mitochondrial
123 158 Pfam PF05191 Adenylate kinase, active site lid
123 158 InterPro IPR007862 Adenylate kinase, active site lid domain
1 212 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
1 212 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
2 214 NCBIfam TIGR01351 adenylate kinase
2 214 InterPro IPR006259 Adenylate kinase subfamily
81 97 PRINTS PR00094 Adenylate kinase signature
81 97 InterPro IPR000850 Adenylate kinase/UMP-CMP kinase
4 17 PRINTS PR00094 Adenylate kinase signature
4 17 InterPro IPR000850 Adenylate kinase/UMP-CMP kinase
32 46 PRINTS PR00094 Adenylate kinase signature
32 46 InterPro IPR000850 Adenylate kinase/UMP-CMP kinase
156 171 PRINTS PR00094 Adenylate kinase signature
156 171 InterPro IPR000850 Adenylate kinase/UMP-CMP kinase
173 187 PRINTS PR00094 Adenylate kinase signature
173 187 InterPro IPR000850 Adenylate kinase/UMP-CMP kinase
5 185 Pfam PF00406 Adenylate kinase
1 215 Gene3D G3DSA:3.40.50.300 -
1 215 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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Structural evidence

0 + 1

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

Entry Method Resolution Chain Coverage Links Status
AlphaFold PA3686
AlphaFold — — full sequence — Viewing
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
1 0.689

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
Chemistry signal

Structural and bioactivity evidence are both available for this target.

Direct evidence 0 56 via homologs
Structural ligands 5 0 loaded crystals
Bioactive compounds 1 50 ZINC candidates
Drug-like & clean 19 0 PAINS alerts
Best available ligand signal
ANP PDB via homolog 506.2 Da · LogP -2.06 · TPSA 281.9
ANP PDB via homolog AP5 PDB via homolog ATF PDB via homolog GCP PDB via homolog

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
ANP
1ANK
P69441 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)…
AP5
3X2S
A0A0J9X1X4 916.4 Da LogP -2.33 TPSA 480.5 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
ATF
1DVR
P07170 541.2 Da LogP -0.93 TPSA 269.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
GCP
6F7U
P69441 521.2 Da LogP -2.22 TPSA 289.9 3 viol. ✓ Clean c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O…
JPY
3X2S
A0A0J9X1X4 273.3 Da LogP 4.22 TPSA 29.1 ✓ Ro5 ✓ Clean CC(=O)NCc1ccc2ccc3cccc4c3c2c1cc4

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.