Protein profile

KP13_05596

putative oxidoreductase

Genome: KpKP13

Gene: AHE44864.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GWM3
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Amino acids 327
Annotations 4
Features 10
PDB binders 3
Druggability 0.223

Overview

Basic information about this protein and its source genome.

Accession
KP13_05596
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE44864.1
Status
annotated
Amino acids
327
Structure source
AlphaFold + ColabFold
EC
1.3.1.104
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:0141148 Catalysis of the reaction: a 2,3-saturated acyl-[ACP] + NADP+ = a (2E)-enoyl-[ACP] + H+ + NADPH. GO:0006633 The chemical reactions and pathways resulting in the formation of a fatty acid, any of the aliphatic monocarboxylic acids that can be liberated by hydrolysis from naturally occurring fats and oils. Fatty acids are predominantly straight-chain acids of 4 to 24 carbon atoms, which may be saturated or unsaturated; branched fatty acids and hydroxy fatty acids also occur, and very long chain acids of over 30 carbons are found in waxes.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
28.399
Human E-value
4.77e-25
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Unknown
ColabFold pLDDT
93.15

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 0.223
Structure A0A0H3GWM3
Pocket Pocket 18
P2Rank 0.938
Structure A0A0H3GWM3
Pocket Pocket 1
ColabFold model
FPocket 0.923 · Pocket 17
P2Rank 0.952 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 12 / 4744 genomes with a hit
Normalized 0.003

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:0141148 Catalysis of the reaction: a 2,3-saturated acyl-[ACP] + NADP+ = a (2E)-enoyl-[ACP] + H+ + NADPH.
  • GO:0006633 The chemical reactions and pathways resulting in the formation of a fatty acid, any of the aliphatic monocarboxylic acids that can be liberated by hydrolysis from naturally occurring fats and oils. Fatty acids are predominantly straight-chain acids of 4 to 24 carbon atoms, which may be saturated or unsaturated; branched fatty acids and hydroxy fatty acids also occur, and very long chain acids of over 30 carbons are found in waxes.

Sequence Features

Domain/signature hits from InterPro and related databases.

10 records
Show feature table
Start End DB Term Name
15 257 PANTHER PTHR43981 ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, MITOCHONDRIAL
17 323 CDD cd05282 ETR_like
16 309 Gene3D G3DSA:3.90.180.10 -
26 322 SMART SM00829 PKS_ER_names_mod
26 322 InterPro IPR020843 Polyketide synthase, enoylreductase domain
126 287 SUPERFAMILY SSF51735 NAD(P)-binding Rossmann-fold domains
126 287 InterPro IPR036291 NAD(P)-binding domain superfamily
134 292 Gene3D G3DSA:3.40.50.720 -
15 131 SUPERFAMILY SSF50129 GroES-like
15 131 InterPro IPR011032 GroES-like 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

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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_A0A0H3GWM3
AlphaFold — — full sequence — Viewing
ColabFold KP13_05596
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
18 0.223

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 18.91 0.832
2 1.43 0.018

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.

53 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
COO
4WAS
Q8WZM3 835.6 Da LogP -0.76 TPSA 363.6 3 viol. ✓ Clean CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](…
DIF
2WEK
Q8N4Q0 296.2 Da LogP 4.36 TPSA 49.3 ✓ Ro5 ✓ Clean c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl
X1H
2X1H
Q8N4Q0 376.4 Da LogP 5.22 TPSA 66.8 1 viol. ✓ Clean COc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)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.