Protein profile

PA1648

oxidoreductase

Genome: NC_002516.2

Gene: PA1648 Structure source: Experimental + AlphaFold UniProt Q9I377
Export view
Amino acids 334
Annotations 3
Features 16
PDB binders 8
Druggability 0.842

Overview

Basic information about this protein and its source genome.

Accession
PA1648
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA1648
Status
annotated
Amino acids
334
Structure source
Experimental + AlphaFold
GO
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:0016628 Catalysis of an oxidation-reduction (redox) reaction in which a CH-CH group acts as a hydrogen or electron donor and reduces NAD or NADP. GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
41.232
Human E-value
1.11e-50
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 0.842
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3
  • 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:0016628 Catalysis of an oxidation-reduction (redox) reaction in which a CH-CH group acts as a hydrogen or electron donor and reduces NAD or NADP.
  • GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.

Sequence Features

Domain/signature hits from InterPro and related databases.

16 records
Show feature table
Start End DB Term Name
159 292 Pfam PF00107 Zinc-binding dehydrogenase
159 292 InterPro IPR013149 Alcohol dehydrogenase-like, C-terminal
125 299 SUPERFAMILY SSF51735 NAD(P)-binding Rossmann-fold domains
125 299 InterPro IPR036291 NAD(P)-binding domain superfamily
18 331 Gene3D G3DSA:3.90.180.10 -
6 333 PANTHER PTHR43205 PROSTAGLANDIN REDUCTASE
6 333 InterPro IPR045010 Medium-chain dehydrogenase/reductase
20 332 SMART SM00829 PKS_ER_names_mod
20 332 InterPro IPR020843 Polyketide synthase, enoylreductase domain
7 114 Pfam PF16884 N-terminal domain of oxidoreductase
7 114 InterPro IPR041694 Oxidoreductase, N-terminal domain
6 332 CDD cd05288 PGDH
127 303 Gene3D G3DSA:3.40.50.720 -
5 144 SUPERFAMILY SSF50129 GroES-like
5 144 InterPro IPR011032 GroES-like superfamily
127 303 FunFam G3DSA:3.40.50.720:FF:000121 Prostaglandin reductase 2

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

Loading 3D structure...

Legend High Medium Low

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 4B7C
X-ray 2.10 Å A,B,C,D,E,F,G,H,I,J,K,L
100.0% 1-334
PDBe RCSB PDBj File
Viewing
PDB 4B7X
X-ray 2.20 Å A,B,C,D,E,F,G,H,I,J,K,L
100.0% 1-334
PDBe RCSB PDBj File
Loaded
AlphaFold PA1648
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 0.842

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 41.43 0.966
2 1.11 0.008

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.

58 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
5OP
2ZB4
Q8N8N7 350.5 Da LogP 3.46 TPSA 91.7 ✓ Ro5 ✓ Clean CCCCCC(=O)\C=C\[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCC…
BKZ
6EOW
G1FCG0 164.2 Da LogP 1.91 TPSA 37.3 ✓ Ro5 ✓ Clean CC(=O)CCc1ccc(cc1)O
CBW
2W4Q
Q8N8N7 470.7 Da LogP 6.41 TPSA 74.6 1 viol. ✓ Clean CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O)C)C…
CIY
4WGG
A0A096LNF0 178.2 Da LogP 1.61 TPSA 46.5 ✓ Ro5 ✓ Clean COc1cc(ccc1O)/C=C/C=O
IMN
2ZB8
Q8N8N7 357.8 Da LogP 3.93 TPSA 68.5 ✓ Ro5 ✓ Clean Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O
LMR
2W98
Q8N8N7 134.1 Da LogP -1.09 TPSA 94.8 ✓ Ro5 ✓ Clean C([C@@H](C(=O)O)O)C(=O)O
NCA
2ZB7
Q8N8N7 122.1 Da LogP 0.18 TPSA 56.0 ✓ Ro5 ✓ Clean c1cc(cnc1)C(=O)N
P1Z
2W98
Q8N8N7 308.4 Da LogP 3.79 TPSA 40.6 ✓ Ro5 Alert CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3

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.