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MolNFT v1 · #5179 · protein

Alpha subunit of a. brasilense glutamate synthase

1EA0 · Glutamate synthase [NADPH] large chain: “Alpha subunit of a. brasilense glutamate synthase”. X-ray diffraction, 4 ligands (OMT, FMN, AKG), 20 pockets (best druggability 0.85). MolNFT v1 #5179 on GenesisL1: 3D structure, binding…

PDB
1EA0
Type
protein
Length
2,904 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate synthase [NADPH] large chain
EC
1.4.1.13
UniProt
Q05755
Ligands
OMT, FMN, AKG, F3S
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGlutamate synthase [NADPH] large chain (EC 1.4.1.13)protein145237% helix, 18% strandQ05755

Ligands and binding sites

  • OMT · S-dioxymethionine · ligand · 2 copies · chains A, B
  • FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
  • AKG · 2-oxoglutaric acid · ligand · 2 copies · chains A, B
  • F3S · FE3-S4 cluster · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14260.850.9275FMN, AKG
24560.830.9180FMN, AKG
39670.820.83106OMT
45390.790.8672OMT
57070.750.8062empty

Interfaces

1 interface between chains.

  • A–B · 2154 Ų buried · 28 hydrogen bonds · protein-protein

Compared structures

  • 1EA0 · Alpha subunit of A. brasilense glutamate synthase · the same entry in another collection · chain A against A, TM-score 1.00
  • Q05755 · AlphaFold monomer V2.0 prediction for glutamate synthase [NADPH] large chain (Q05755) · a predicted model of the same protein · chain A against A, TM-score 1.00

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