Protein profile

KP13_03835

Protein aegA

Genome: KpKP13

Gene: AHE43319.1 aegA Structure source: AlphaFold + ColabFold UniProt A0A0H3GWI5
Export view
Amino acids 660
Annotations 5
Features 35
PDB binders 8
Druggability 0.937

Overview

Basic information about this protein and its source genome.

Accession
KP13_03835
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE43319.1 aegA
Status
annotated
Amino acids
660
Structure source
AlphaFold + ColabFold
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:0051539 Binding to a 4 iron, 4 sulfur (4Fe-4S) cluster; this cluster consists of four iron atoms, with the inorganic sulfur atoms found between the irons and acting as bridging ligands. GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms. GO:0046872 Binding to a metal ion. GO:0044281 The chemical reactions and pathways involving small molecules, any low molecular weight, monomeric, non-encoded molecule.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
29.63
Human E-value
4.96e-08
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Cytoplasmic
ColabFold pLDDT
93.26

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 0.937
Structure A0A0H3GWI5
Pocket Pocket 1
P2Rank 0.931
Structure A0A0H3GWI5
Pocket Pocket 1
ColabFold model
FPocket 0.957 · Pocket 1
P2Rank 0.944 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 72 / 4744 genomes with a hit
Normalized 0.015

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5
  • 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:0051539 Binding to a 4 iron, 4 sulfur (4Fe-4S) cluster; this cluster consists of four iron atoms, with the inorganic sulfur atoms found between the irons and acting as bridging ligands.
  • GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms.
  • GO:0046872 Binding to a metal ion.
  • GO:0044281 The chemical reactions and pathways involving small molecules, any low molecular weight, monomeric, non-encoded molecule.

Sequence Features

Domain/signature hits from InterPro and related databases.

35 records
Show feature table
Start End DB Term Name
189 652 NCBIfam TIGR01318 glutamate synthase, small subunit
189 652 InterPro IPR006006 Glutamate synthase NADPH small chain-like
114 147 ProSiteProfiles PS51379 4Fe-4S ferredoxin-type iron-sulfur binding domain profile.
114 147 InterPro IPR017896 4Fe-4S ferredoxin-type, iron-sulphur binding domain
1 294 SUPERFAMILY SSF54862 4Fe-4S ferredoxins
55 145 Pfam PF13247 4Fe-4S dicluster domain
55 145 InterPro IPR017896 4Fe-4S ferredoxin-type, iron-sulphur binding domain
78 107 ProSiteProfiles PS51379 4Fe-4S ferredoxin-type iron-sulfur binding domain profile.
78 107 InterPro IPR017896 4Fe-4S ferredoxin-type, iron-sulphur binding domain
87 98 ProSitePatterns PS00198 4Fe-4S ferredoxin-type iron-sulfur binding region signature.
87 98 InterPro IPR017900 4Fe-4S ferredoxin, iron-sulphur binding, conserved site
330 352 PRINTS PR00419 Adrenodoxin reductase family signature
506 519 PRINTS PR00419 Adrenodoxin reductase family signature
395 405 PRINTS PR00419 Adrenodoxin reductase family signature
353 366 PRINTS PR00419 Adrenodoxin reductase family signature
472 486 PRINTS PR00419 Adrenodoxin reductase family signature
206 315 Pfam PF14691 Dihydroprymidine dehydrogenase domain II, 4Fe-4S cluster
206 315 InterPro IPR028261 Dihydroprymidine dehydrogenase domain II
117 653 PANTHER PTHR42783 GLUTAMATE SYNTHASE [NADPH] SMALL CHAIN
328 449 FunFam G3DSA:3.50.50.60:FF:000077 Glutamate synthase small subunit
328 583 SUPERFAMILY SSF51971 Nucleotide-binding domain
3 22 ProSiteProfiles PS51379 4Fe-4S ferredoxin-type iron-sulfur binding domain profile.
3 22 InterPro IPR017896 4Fe-4S ferredoxin-type, iron-sulphur binding domain
329 641 Pfam PF07992 Pyridine nucleotide-disulphide oxidoreductase
329 641 InterPro IPR023753 FAD/NAD(P)-binding domain
467 654 FunFam G3DSA:3.50.50.60:FF:000068 Glutamate synthase small subunit
4 144 CDD cd10554 HycB_like
5 174 Gene3D G3DSA:3.30.70.20 -
429 582 Gene3D G3DSA:3.50.50.60 -
429 582 InterPro IPR036188 FAD/NAD(P)-binding domain superfamily
181 326 Gene3D G3DSA:1.10.1060.10 -
181 326 InterPro IPR009051 Alpha-helical ferredoxin
62 120 Gene3D G3DSA:3.30.70.20 -
327 370 Gene3D G3DSA:3.50.50.60 -
327 370 InterPro IPR036188 FAD/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_A0A0H3GWI5
AlphaFold — — full sequence — Viewing
ColabFold KP13_03835
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
1 0.937
37 0.612

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 21.09 0.865
2 4.55 0.195
3 4.46 0.189
4 4.19 0.17
5 3.88 0.152

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.

58 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
6MO
1KQF
P0AAJ3 95.9 Da LogP -0.00 TPSA 0.0 ✓ Ro5 ✓ Clean [Mo+6]
AKG
2VDC
Q05756 146.1 Da LogP -0.50 TPSA 91.7 ✓ Ro5 ✓ Clean C(CC(=O)O)C(=O)C(=O)O
CDL
1KQF
P0AAJ3 1464.1 Da LogP 23.31 TPSA 242.6 3 viol. ✓ Clean CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(…
F3S
2VDC
Q05756 295.8 Da LogP 2.59 TPSA 0.0 ✓ Ro5 ✓ Clean S1[Fe]2S[Fe]3[S]2[Fe]1S3
FES
5VJ7
I6V148 175.8 Da LogP 1.29 TPSA 0.0 ✓ Ro5 ✓ Clean S1[Fe]S[Fe]1
HQO
1KQG
P0AAJ3 259.3 Da LogP 3.69 TPSA 47.2 ✓ Ro5 Alert CCCCCCCc1cc(c2ccccc2[n+]1[O-])O
MGD
1KQF
P0AAJ3 740.6 Da LogP -2.06 TPSA 346.6 3 viol. ✓ Clean c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=…
OMT
2VDC
Q05756 181.2 Da LogP -1.17 TPSA 97.5 ✓ Ro5 ✓ Clean CS(=O)(=O)CC[C@@H](C(=O)O)N

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.