Protein profile

KP13_04542

Alcohol dehydrogenase, propanol-preferring

Genome: KpKP13

Gene: AHE44417.1 adhP Structure source: AlphaFold + ColabFold UniProt A0A0H3GTY9
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Amino acids 336
Annotations 4
Features 18
PDB binders 7
Druggability 0.784

Overview

Basic information about this protein and its source genome.

Accession
KP13_04542
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE44417.1 adhP
Status
annotated
Amino acids
336
Structure source
AlphaFold + ColabFold
EC
1.1.1.1
GO
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. GO:0008270 Binding to a zinc ion (Zn). GO:0004022 Catalysis of the reaction: an alcohol + NAD+ = an aldehyde or ketone + NADH + H+.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
44.643
Human E-value
4.93e-07
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
68.452
DEG E-value
1.29e-167
Localization
Cytoplasmic
ColabFold pLDDT
96.91

Selected Druggability evidence

AlphaFold / UniProt model

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 0.784
Structure A0A0H3GTY9
Pocket Pocket 15
P2Rank 0.962
Structure A0A0H3GTY9
Pocket Pocket 1
ColabFold model
FPocket 0.399 · Pocket 7
P2Rank 0.966 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 160 / 4744 genomes with a hit
Normalized 0.034

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 3 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

3
  • 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.
  • GO:0008270 Binding to a zinc ion (Zn).
  • GO:0004022 Catalysis of the reaction: an alcohol + NAD+ = an aldehyde or ketone + NADH + H+.

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records
Show feature table
Start End DB Term Name
145 283 FunFam G3DSA:3.40.50.720:FF:000039 Alcohol dehydrogenase AdhP
57 71 ProSitePatterns PS00059 Zinc-containing alcohol dehydrogenases signature.
57 71 InterPro IPR002328 Alcohol dehydrogenase, zinc-type, conserved site
146 283 Gene3D G3DSA:3.40.50.720 -
12 166 FunFam G3DSA:3.90.180.10:FF:000002 Alcohol dehydrogenase AdhP
1 169 SUPERFAMILY SSF50129 GroES-like
1 169 InterPro IPR011032 GroES-like superfamily
1 334 CDD cd08297 CAD3
172 298 Pfam PF00107 Zinc-binding dehydrogenase
172 298 InterPro IPR013149 Alcohol dehydrogenase-like, C-terminal
7 332 SMART SM00829 PKS_ER_names_mod
7 332 InterPro IPR020843 Polyketide synthase, enoylreductase domain
135 302 SUPERFAMILY SSF51735 NAD(P)-binding Rossmann-fold domains
135 302 InterPro IPR036291 NAD(P)-binding domain superfamily
2 334 PANTHER PTHR42940 ALCOHOL DEHYDROGENASE 1-RELATED
25 131 Pfam PF08240 Alcohol dehydrogenase GroES-like domain
25 131 InterPro IPR013154 Alcohol dehydrogenase-like, N-terminal
25 331 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

0 + 2

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
AlphaFold AF_A0A0H3GTY9
AlphaFold — — full sequence — Viewing
ColabFold KP13_04542
ColabFold — — 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
15 0.784
1 0.732

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 27.55 0.921

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
ETF
4W6Z
P00330 100.0 Da LogP 0.54 TPSA 20.2 ✓ Ro5 ✓ Clean C(C(F)(F)F)O
ETX
1R37
P39462 90.1 Da LogP 0.02 TPSA 29.5 ✓ Ro5 ✓ Clean CCOCCO
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.