Protein profile

PA0387

non-canonical purine NTP pyrophosphatase

Genome: NC_002516.2

Gene: PA0387 Structure source: AlphaFold UniProt Q9I6A8
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Amino acids 197
Annotations 13
Features 13
PDB binders 3
Druggability 0.567

Overview

Basic information about this protein and its source genome.

Accession
PA0387
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA0387
Status
annotated
Amino acids
197
Structure source
AlphaFold
EC
3.6.1.66
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:0035870 Catalysis of the reaction: dITP + H2O = dIMP + H+ + diphosphate. GO:0036220 Catalysis of the reaction: ITP + H2O = IMP + H+ + diphosphate. GO:0046872 Binding to a metal ion. GO:0047429 Catalysis of the reaction: a nucleoside triphosphate + H2O = a nucleotide + H+ + diphosphate.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
29.293
Human E-value
2.04e-12
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 0.567
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 12 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

12
  • 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:0035870 Catalysis of the reaction: dITP + H2O = dIMP + H+ + diphosphate.
  • GO:0036220 Catalysis of the reaction: ITP + H2O = IMP + H+ + diphosphate.
  • GO:0046872 Binding to a metal ion.
  • GO:0047429 Catalysis of the reaction: a nucleoside triphosphate + H2O = a nucleotide + H+ + diphosphate.
  • GO:0000166 Binding to a nucleotide, any compound consisting of a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the ribose or deoxyribose.
  • GO:0017111 Catalysis of the reaction: a ribonucleoside triphosphate + H2O = a ribonucleoside diphosphate + H+ + phosphate.
  • GO:0036222 Catalysis of the reaction: XTP + H2O = XMP + H+ + diphosphate.
  • GO:0009143 The chemical reactions and pathways resulting in the breakdown of a nucleoside triphosphate, a compound consisting of a nucleobase linked to a deoxyribose or ribose sugar esterified with triphosphate on the sugar.
  • GO:0009117 The chemical reactions and pathways involving a nucleotide, a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the glycose moiety; may be mono-, di- or triphosphate; this definition includes cyclic nucleotides (nucleoside cyclic phosphates).
  • GO:0009146 The chemical reactions and pathways resulting in the breakdown of purine nucleoside triphosphate, a compound consisting of a purine base linked to a ribose or deoxyribose sugar esterified with triphosphate on the sugar.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records
Show feature table
Start End DB Term Name
7 193 CDD cd00515 HAM1
7 193 InterPro IPR002637 RdgB/HAM1
2 196 Gene3D G3DSA:3.90.950.10 -
2 196 InterPro IPR029001 Inosine triphosphate pyrophosphatase-like
5 197 Hamap MF_01405 dITP/XTP pyrophosphatase.
5 197 InterPro IPR020922 dITP/XTP pyrophosphatase
4 195 SUPERFAMILY SSF52972 ITPase-like
4 195 InterPro IPR029001 Inosine triphosphate pyrophosphatase-like
3 196 FunFam G3DSA:3.90.950.10:FF:000001 dITP/XTP pyrophosphatase
7 193 Pfam PF01725 Ham1 family
7 195 PANTHER PTHR11067 INOSINE TRIPHOSPHATE PYROPHOSPHATASE/HAM1 PROTEIN
7 195 InterPro IPR002637 RdgB/HAM1
7 195 NCBIfam TIGR00042 RdgB/HAM1 family non-canonical purine NTP pyrophosphatase

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 PA0387
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 0.567
3 0.458

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.

54 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
ANP
2MJP
Q57679 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)…
IMP
2DVN
O59580 348.2 Da LogP -2.15 TPSA 180.0 ✓ Ro5 ✓ Clean c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O…
POP
2J4E
Q9BY32 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.