Protein profile

PA1756

phosphoadenosine phosphosulfate reductase

Genome: NC_002516.2

Gene: cysH PA1756 Structure source: Experimental + AlphaFold UniProt O05927
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Amino acids 267
Annotations 11
Features 17
PDB binders 2
Druggability 0.34

Overview

Basic information about this protein and its source genome.

Accession
PA1756
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
cysH PA1756
Status
annotated
Amino acids
267
Structure source
Experimental + AlphaFold
EC
1.8.4.10
GO
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0051539 Binding to a 4 iron, 4 sulfur (4Fe-4S) cluster; this cluster consists of four iron atoms, with the inorganic sulfur atoms found between the irons and acting as bridging ligands. GO:0043866 Catalysis of the reaction: AMP + sulfite + thioredoxin disulfide = 5'-adenylyl sulfate + thioredoxin. GO:0046872 Binding to a metal ion. GO:0004604 Catalysis of the reaction: adenosine 3',5'-diphosphate + H+ + sulfite + thioredoxin disulfide = 3'-phospho-5'-adenylyl sulfate + thioredoxin. Thioredoxin disulfide is the oxidized form of thioredoxin; 3'-phosphoadenosine 5'-phosphosulfate is also known as PAPS. GO:0019344 The chemical reactions and pathways resulting in the formation of L-cysteine, 2-amino-3-mercaptopropanoic acid.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
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 0.34
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 10 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

10
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0051539 Binding to a 4 iron, 4 sulfur (4Fe-4S) cluster; this cluster consists of four iron atoms, with the inorganic sulfur atoms found between the irons and acting as bridging ligands.
  • GO:0043866 Catalysis of the reaction: AMP + sulfite + thioredoxin disulfide = 5'-adenylyl sulfate + thioredoxin.
  • GO:0046872 Binding to a metal ion.
  • GO:0004604 Catalysis of the reaction: adenosine 3',5'-diphosphate + H+ + sulfite + thioredoxin disulfide = 3'-phospho-5'-adenylyl sulfate + thioredoxin. Thioredoxin disulfide is the oxidized form of thioredoxin; 3'-phosphoadenosine 5'-phosphosulfate is also known as PAPS.
  • GO:0019344 The chemical reactions and pathways resulting in the formation of L-cysteine, 2-amino-3-mercaptopropanoic acid.
  • GO:0070814 The chemical reactions and pathways resulting in the formation of hydrogen sulfide, H2S.
  • GO:0000103 The pathways by which inorganic sulfate is processed and incorporated into sulfated compounds.
  • GO:0019379 The pathway by which inorganic sulfate is processed and incorporated into sulfated compounds, where the phosphoadenylyl sulfate reduction step is catalyzed by the enzyme phosphoadenylyl-sulfate reductase (thioredoxin) (EC:1.8.4.8).
  • GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.

Sequence Features

Domain/signature hits from InterPro and related databases.

17 records
Show feature table
Start End DB Term Name
59 227 CDD cd01713 PAPS_reductase
59 227 InterPro IPR002500 Phosphoadenosine phosphosulphate reductase
57 234 Pfam PF01507 Phosphoadenosine phosphosulfate reductase family
57 234 InterPro IPR002500 Phosphoadenosine phosphosulphate reductase
23 260 Hamap MF_00063 Adenosine 5'-phosphosulfate reductase [cysH].
23 260 InterPro IPR004511 Phosphoadenosine phosphosulphate/adenosine 5'-phosphosulphate reductase
42 259 NCBIfam TIGR00434 phosophoadenylyl-sulfate reductase
42 259 InterPro IPR004511 Phosphoadenosine phosphosulphate/adenosine 5'-phosphosulphate reductase
10 264 PIRSF PIRSF000857 PAPS_reductase
10 264 InterPro IPR004511 Phosphoadenosine phosphosulphate/adenosine 5'-phosphosulphate reductase
28 249 FunFam G3DSA:3.40.50.620:FF:000153 Phosphoadenosine phosphosulfate reductase
28 249 Gene3D G3DSA:3.40.50.620 HUPs
28 249 InterPro IPR014729 Rossmann-like alpha/beta/alpha sandwich fold
13 265 PANTHER PTHR46482 5'-ADENYLYLSULFATE REDUCTASE 3, CHLOROPLASTIC
63 258 NCBIfam TIGR02055 adenylylsulfate reductase, thioredoxin dependent
63 258 InterPro IPR011798 Adenosine 5'-phosphosulphate reductase
32 222 SUPERFAMILY SSF52402 Adenine nucleotide alpha hydrolases-like

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

1 + 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 2GOY
X-ray 2.70 Å A,B,C,D,E,F,G,H
100.0% 1-267
PDBe RCSB PDBj File
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AlphaFold PA1756
AlphaFold — — 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
1 0.284

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 23.52 0.89
2 1.35 0.016

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.

52 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

Show only:
Ligand Source crystal MW · LogP · TPSA Lipinski PAINS SMILES
ADX
2GOY 2.70 Å Open crystal
427.3 Da LogP -2.04 TPSA 229.4 1 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…

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.