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MolNFT v1 · #163567 · protein

Structure of azospirillum brasilense glutamate synthase in A6B6 oligomeric state.

6S6X · Glutamate synthase [NADPH] large chain: “Structure of azospirillum brasilense glutamate synthase in A6B6 oligomeric state.”. Electron microscopy, 4 ligands (SF4, FMN, F3S), 20 pockets (best druggability 0.85). MolNFT v1 #163567 on…

PDB
6S6X
Type
protein
Length
11,664 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate synthase [NADPH] large chain; Glutamate synthase [NADPH] small chain
EC
1.4.1.13
UniProt
Q05755, Q05756
Ligands
SF4, FMN, F3S, FAD
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 2 distinct chains · 33% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FGlutamate synthase [NADPH] large chain (EC 1.4.1.13)protein147233% helix, 16% strandQ05755
G, H, I, J, K, LGlutamate synthase [NADPH] small chain (EC 1.4.1.13)protein47233% helix, 16% strandQ05756

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · 12 copies · chains G, H, I, J, K, L
  • FMN · Flavin mononucleotide · ligand · 6 copies · chains A, B, C, D, E, F
  • F3S · FE3-S4 cluster · ligand · 6 copies · chains A, B, C, D, E, F
  • FAD · Flavin-adenine dinucleotide · ligand · 6 copies · chains G, H, I, J, K, L

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
14780.850.9284FMN, F3S
28140.850.87102FAD
34910.850.9281FMN, F3S
48090.850.8792FAD
57930.850.8794FAD

Interfaces

19 interfaces between chains.

  • A–D · 2103 Ų buried · 15 hydrogen bonds · protein-protein
  • B–E · 2082 Ų buried · 9 hydrogen bonds · protein-protein
  • C–F · 1999 Ų buried · 12 hydrogen bonds · protein-protein
  • D–J · 1180 Ų buried · 8 hydrogen bonds · protein-protein
  • A–G · 1154 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 6S6X · Structure of Azospirillum brasilense Glutamate Synthase in a6b6 oligomeric state. · the same entry in another collection · chain L against L, TM-score 1.00

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