Protein profile

PA1306

HIT family protein

Genome: NC_002516.2

Gene: PA1306 Structure source: AlphaFold UniProt Q9I438
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Amino acids 153
Annotations 2
Features 18
PDB binders 5
Druggability 0.813

Overview

Basic information about this protein and its source genome.

Accession
PA1306
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA1306
Status
annotated
Amino acids
153
Structure source
AlphaFold
GO
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. 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).

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
30.973
Human E-value
1.26e-08
Gut microbiome off-target
hit
Essential (DEG)
N
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 0.813
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

2
  • 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.
  • 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).

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records
Show feature table
Start End DB Term Name
5 149 Gene3D G3DSA:3.30.428.10 -
5 149 InterPro IPR036265 HIT-like superfamily
91 109 ProSitePatterns PS00892 HIT domain signature.
91 109 InterPro IPR019808 Histidine triad, conserved site
4 116 PANTHER PTHR46648 HIT FAMILY PROTEIN 1
4 116 InterPro IPR001310 Histidine triad (HIT) protein
6 147 SUPERFAMILY SSF54197 HIT-like
6 147 InterPro IPR036265 HIT-like superfamily
30 48 PRINTS PR00332 Histidine triad family signature
30 48 InterPro IPR001310 Histidine triad (HIT) protein
98 108 PRINTS PR00332 Histidine triad family signature
98 108 InterPro IPR001310 Histidine triad (HIT) protein
9 25 PRINTS PR00332 Histidine triad family signature
9 25 InterPro IPR001310 Histidine triad (HIT) protein
18 112 Pfam PF01230 HIT domain
18 112 InterPro IPR011146 HIT-like domain
9 117 ProSiteProfiles PS51084 HIT domain profile.
9 117 InterPro IPR011146 HIT-like domain

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 PA1306
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 0.813
2 0.223

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.

55 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
5AS
1RZY
P80912 374.4 Da LogP -2.10 TPSA 174.7 1 viol. ✓ Clean CCNS(=O)(=O)OC[C@@H]1[C@H]([C@H](C(O1)n2cnc3c2n…
5GP
3OXK
C4LYI2 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…
8BR
5RHN
P80912 426.1 Da LogP -1.10 TPSA 186.1 ✓ Ro5 ✓ Clean c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H]…
ADN
5UVM
A3DF72 267.2 Da LogP -1.98 TPSA 139.5 ✓ Ro5 ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
EMC
1EMS
O76463 229.7 Da LogP 0.97 TPSA 0.0 ✓ Ro5 ✓ Clean CC[Hg+]

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.