MolNFT v1 · #98908 · protein
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of apo form of gs
4LNN: “B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for…”. X-ray diffraction, 2 ligands (MG, SO4), 20 pockets (best druggability 0.82). MolNFT v1 #98908 on GenesisL1: 3D structure…
- PDB
- 4LNN
- Type
- protein
- Length
- 5,257 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamine synthetase
- EC
- 6.3.1.2
- UniProt
- P12425
- Ligands
- MG, SO4
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 5 distinct chains · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Glutamine synthetase (EC 6.3.1.2) | protein | 439 | 37% helix, 23% strand | P12425 |
| C, E, G, J, K | Glutamine synthetase (EC 6.3.1.2) | protein | 438 | 38% helix, 24% strand | P12425 |
| F, H | Glutamine synthetase (EC 6.3.1.2) | protein | 437 | 37% helix, 22% strand | P12425 |
| I | Glutamine synthetase (EC 6.3.1.2) | protein | 436 | 37% helix, 22% strand | P12425 |
| L | Glutamine synthetase (EC 6.3.1.2) | protein | 440 | 37% helix, 21% strand | P12425 |
Ligands and binding sites
- MG · Magnesium ion · metal · 25 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
- SO4 · Sulfate ion · ion · 5 copies · chains D, C, E, F, H
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 984 | 0.82 | 0.83 | 95 | MG |
| 2 | 733 | 0.81 | 0.85 | 75 | MG |
| 3 | 890 | 0.80 | 0.83 | 95 | MG |
| 4 | 742 | 0.80 | 0.84 | 73 | MG |
| 5 | 554 | 0.80 | 0.87 | 60 | MG |
Interfaces
24 interfaces between chains.
- F–L · 2236 Ų buried · 20 hydrogen bonds · protein-protein
- B–H · 2188 Ų buried · 23 hydrogen bonds · protein-protein
- E–K · 2143 Ų buried · 20 hydrogen bonds · protein-protein
- D–J · 2137 Ų buried · 26 hydrogen bonds · protein-protein
- A–G · 2120 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 4LNN · B. subtilis glutamine synthetase structures reveal large active site conformational… · the same entry in another collection · chain K against K, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P12425
- Elsewhere: RCSB PDB 4LNN · PDBe 4LNN · UniProt P12425
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