Protein profile

KP13_31771

Zinc-type alcohol dehydrogenase-like protein

Genome: KpKP13

Gene: AHE46608.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GHK8
Export view
Amino acids 339
Annotations 5
Features 22
PDB binders 6
Druggability 0.605

Overview

Basic information about this protein and its source genome.

Accession
KP13_31771
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE46608.1
Status
annotated
Amino acids
339
Structure source
AlphaFold + ColabFold
EC
1.1.1.2
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:0016616 Catalysis of an oxidation-reduction (redox) reaction in which a CH-OH group acts as a hydrogen or electron donor and reduces NAD+ or NADP. GO:0008106 Catalysis of the reaction: an alcohol + NADP+ = an aldehyde or ketone + NADPH + H+.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
30.769
Human E-value
2.75e-07
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Cytoplasmic
ColabFold pLDDT
96.48

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 0.605
Structure A0A0H3GHK8
Pocket Pocket 3
P2Rank 0.947
Structure A0A0H3GHK8
Pocket Pocket 1
ColabFold model
FPocket 0.274 · Pocket 12
P2Rank 0.92 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 81 / 4744 genomes with a hit
Normalized 0.017

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: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:0016616 Catalysis of an oxidation-reduction (redox) reaction in which a CH-OH group acts as a hydrogen or electron donor and reduces NAD+ or NADP.
  • GO:0008106 Catalysis of the reaction: an alcohol + NADP+ = an aldehyde or ketone + NADPH + H+.

Sequence Features

Domain/signature hits from InterPro and related databases.

22 records
Show feature table
Start End DB Term Name
13 335 SMART SM00829 PKS_ER_names_mod
13 335 InterPro IPR020843 Polyketide synthase, enoylreductase domain
29 137 Pfam PF08240 Alcohol dehydrogenase GroES-like domain
29 137 InterPro IPR013154 Alcohol dehydrogenase-like, N-terminal
153 307 Gene3D G3DSA:3.40.50.720 -
5 336 CDD cd05283 CAD1
5 336 InterPro IPR047109 Cinnamyl alcohol dehydrogenase-like
7 164 SUPERFAMILY SSF50129 GroES-like
7 164 InterPro IPR011032 GroES-like superfamily
7 336 PANTHER PTHR42683 ALDEHYDE REDUCTASE
7 336 InterPro IPR047109 Cinnamyl alcohol dehydrogenase-like
62 76 ProSitePatterns PS00059 Zinc-containing alcohol dehydrogenases signature.
62 76 InterPro IPR002328 Alcohol dehydrogenase, zinc-type, conserved site
9 335 Gene3D G3DSA:3.90.180.10 -
179 299 Pfam PF00107 Zinc-binding dehydrogenase
179 299 InterPro IPR013149 Alcohol dehydrogenase-like, C-terminal
153 307 FunFam G3DSA:3.40.50.720:FF:000022 Cinnamyl alcohol dehydrogenase
172 199 ProSitePatterns PS00065 D-isomer specific 2-hydroxyacid dehydrogenases NAD-binding signature.
172 199 InterPro IPR029752 D-isomer specific 2-hydroxyacid dehydrogenase, NAD-binding domain conserved site 1
9 160 FunFam G3DSA:3.90.180.10:FF:000018 NAD(P)-dependent alcohol dehydrogenase
142 305 SUPERFAMILY SSF51735 NAD(P)-binding Rossmann-fold domains
142 305 InterPro IPR036291 NAD(P)-binding domain superfamily

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

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_A0A0H3GHK8
AlphaFold — — full sequence — Viewing
ColabFold KP13_31771
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
3 0.605
5 0.154
2 0.054
1 0.002

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 40.57 0.947
2 1.18 0.009
3 0.92 0.004

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.

56 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
BMD
3PII
P42328 87.1 Da LogP 0.27 TPSA 43.1 ✓ Ro5 ✓ Clean CCCC(=O)N
DTT
4OAQ
M4VRJ6 154.3 Da LogP -0.43 TPSA 40.5 ✓ Ro5 ✓ Clean C([C@@H]([C@H](CS)O)O)S
ETF
1RJW
P42328 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.