Protein profile

KP13_01027

USG-1 protein

Genome: KpKP13

Gene: usg AHE43445.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GWE1
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Amino acids 337
Annotations 4
Features 14
PDB binders 5
Druggability 0.109

Overview

Basic information about this protein and its source genome.

Accession
KP13_01027
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
usg AHE43445.1
Status
annotated
Amino acids
337
Structure source
AlphaFold + ColabFold
GO
GO:0051287 Binding to nicotinamide adenine dinucleotide, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NAD+, or the reduced form, NADH. GO:0016620 Catalysis of an oxidation-reduction (redox) reaction in which an aldehyde or ketone (oxo) group acts as a hydrogen or electron donor and reduces NAD or NADP. GO:0046983 The formation of a protein dimer, a macromolecular structure consists of two noncovalently associated identical or nonidentical subunits. GO:0008652 The chemical reactions and pathways resulting in the formation of amino acids, organic acids containing one or more amino substituents.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Human identity (%)
0.0
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Cytoplasmic
ColabFold pLDDT
95.31

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 0.109
Structure A0A0H3GWE1
Pocket Pocket 8
P2Rank 0.814
Structure A0A0H3GWE1
Pocket Pocket 1
ColabFold model
FPocket 0.808 · Pocket 2
P2Rank 0.698 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 110 / 4744 genomes with a hit
Normalized 0.023

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

4
  • GO:0051287 Binding to nicotinamide adenine dinucleotide, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NAD+, or the reduced form, NADH.
  • GO:0016620 Catalysis of an oxidation-reduction (redox) reaction in which an aldehyde or ketone (oxo) group acts as a hydrogen or electron donor and reduces NAD or NADP.
  • GO:0046983 The formation of a protein dimer, a macromolecular structure consists of two noncovalently associated identical or nonidentical subunits.
  • GO:0008652 The chemical reactions and pathways resulting in the formation of amino acids, organic acids containing one or more amino substituents.

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records
Show feature table
Start End DB Term Name
6 116 Pfam PF01118 Semialdehyde dehydrogenase, NAD binding domain
6 116 InterPro IPR000534 Semialdehyde dehydrogenase, NAD-binding
141 317 Pfam PF02774 Semialdehyde dehydrogenase, dimerisation domain
141 317 InterPro IPR012280 Semialdehyde dehydrogenase, dimerisation domain
6 331 Gene3D G3DSA:3.40.50.720 -
3 332 PANTHER PTHR46278 DEHYDROGENASE, PUTATIVE-RELATED
4 337 PIRSF PIRSF000148 ASA_dh
6 121 SMART SM00859 Semialdhyde_dh_3
6 121 InterPro IPR000534 Semialdehyde dehydrogenase, NAD-binding
6 142 FunFam G3DSA:3.40.50.720:FF:000099 Aspartate-semialdehyde dehydrogenase
5 157 SUPERFAMILY SSF51735 NAD(P)-binding Rossmann-fold domains
5 157 InterPro IPR036291 NAD(P)-binding domain superfamily
131 319 SUPERFAMILY SSF55347 Glyceraldehyde-3-phosphate dehydrogenase-like, C-terminal domain
132 314 Gene3D G3DSA:3.30.360.10 Dihydrodipicolinate Reductase; domain 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

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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_A0A0H3GWE1
AlphaFold — — full sequence — Viewing
ColabFold KP13_01027
ColabFold — — full sequence — Loaded
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

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 10.04 0.54
2 1.46 0.02

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
3GQ
4R3N
Q8DQ00 210.1 Da LogP 0.78 TPSA 111.9 ✓ Ro5 ✓ Clean c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O
A2P
2GZ2
A0A0H2UPS5 427.2 Da LogP -1.75 TPSA 232.6 2 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
AS2
2GZ3
A0A0H2UPS5 117.1 Da LogP -1.01 TPSA 80.4 ✓ Ro5 ✓ Clean C(C=O)[C@H](C(=O)O)N
DHL
3Q1L
Q8DQ00 77.2 Da LogP -0.13 TPSA 26.0 ✓ Ro5 ✓ Clean C(CS)N
OEG
2R00
P23247 134.1 Da LogP -0.83 TPSA 83.8 ✓ Ro5 ✓ Clean C(C(=O)O)OCC(=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.