Protein profile

PA5427

alcohol dehydrogenase

Genome: NC_002516.2

Gene: adhA PA5427 Structure source: Experimental + AlphaFold UniProt Q9HTD9
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Amino acids 342
Annotations 5
Features 18
PDB binders 7
Druggability 0.758

Overview

Basic information about this protein and its source genome.

Accession
PA5427
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
adhA PA5427
Status
annotated
Amino acids
342
Structure source
Experimental + AlphaFold
EC
1.1.1.1
GO
GO:0004022 Catalysis of the reaction: an alcohol + NAD+ = an aldehyde or ketone + NADH + H+. 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:0008270 Binding to a zinc ion (Zn). 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 (%)
46.429
Human E-value
1.83e-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 0.758
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

4
  • GO:0004022 Catalysis of the reaction: an alcohol + NAD+ = an aldehyde or ketone + NADH + H+.
  • 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:0008270 Binding to a zinc ion (Zn).
  • 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.

18 records
Show feature table
Start End DB Term Name
7 342 CDD cd08297 CAD3
19 161 FunFam G3DSA:3.90.180.10:FF:000002 Alcohol dehydrogenase AdhP
16 340 SMART SM00829 PKS_ER_names_mod
16 340 InterPro IPR020843 Polyketide synthase, enoylreductase domain
154 291 FunFam G3DSA:3.40.50.720:FF:000039 Alcohol dehydrogenase AdhP
145 310 SUPERFAMILY SSF51735 NAD(P)-binding Rossmann-fold domains
145 310 InterPro IPR036291 NAD(P)-binding domain superfamily
181 304 Pfam PF00107 Zinc-binding dehydrogenase
181 304 InterPro IPR013149 Alcohol dehydrogenase-like, C-terminal
31 136 Pfam PF08240 Alcohol dehydrogenase GroES-like domain
31 136 InterPro IPR013154 Alcohol dehydrogenase-like, N-terminal
154 291 Gene3D G3DSA:3.40.50.720 -
2 340 SUPERFAMILY SSF50129 GroES-like
2 340 InterPro IPR011032 GroES-like superfamily
1 342 PANTHER PTHR42940 ALCOHOL DEHYDROGENASE 1-RELATED
66 80 ProSitePatterns PS00059 Zinc-containing alcohol dehydrogenases signature.
66 80 InterPro IPR002328 Alcohol dehydrogenase, zinc-type, conserved site
12 334 Gene3D G3DSA:3.90.180.10 -

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

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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 1LLU
X-ray 2.30 Å A,B,C,D,E,F,G,H
100.0% 1-342
PDBe RCSB PDBj File
Viewing
AlphaFold PA5427
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
2 0.758
1 0.622

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 49.67 0.979
2 1.61 0.026

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.

57 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
8ID
4W6Z
P00330 790.3 Da LogP -2.41 TPSA 318.3 3 viol. ✓ Clean c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P…
BMD
3PII
P42328 87.1 Da LogP 0.27 TPSA 43.1 ✓ Ro5 ✓ Clean CCCC(=O)N
DTT
1YQD
Q94G59 154.3 Da LogP -0.43 TPSA 40.5 ✓ Ro5 ✓ Clean C([C@@H]([C@H](CS)O)O)S
ETF
4W6Z
P00330 100.0 Da LogP 0.54 TPSA 20.2 ✓ Ro5 ✓ Clean C(C(F)(F)F)O
FU2
3S2F
Q46UZ9 96.1 Da LogP 1.09 TPSA 30.2 ✓ Ro5 ✓ Clean c1cc(oc1)C=O
ISP
3S2F
Q46UZ9 140.1 Da LogP 0.50 TPSA 66.8 ✓ Ro5 ✓ Clean CC(C)OP(=O)(O)O
MLT
5VKT
C5XC49 134.1 Da LogP -1.09 TPSA 94.8 ✓ Ro5 ✓ Clean C([C@H](C(=O)O)O)C(=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.