MolNFT v1 · #150203 · protein
Plant glutamate cysteine ligase (gcl) in complex with non-reducing gsh (gsm)
6GMO · Glutamate--cysteine ligase, chloroplastic: “Plant glutamate cysteine ligase (gcl) in complex with non-reducing gsh (gsm)”. X-ray diffraction, 2 ligands (GSM, MG), 6 pockets (best druggability 0.73). MolNFT v1 #150203 on GenesisL1…
- PDB
- 6GMO
- Type
- protein
- Length
- 877 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate--cysteine ligase, chloroplastic
- EC
- 6.3.2.2
- UniProt
- O23736
- Ligands
- GSM, MG
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate--cysteine ligase, chloroplastic (EC 6.3.2.2) | protein | 439 | 49% helix, 17% strand | O23736 |
| B | Glutamate--cysteine ligase, chloroplastic (EC 6.3.2.2) | protein | 438 | 49% helix, 17% strand | O23736 |
Ligands and binding sites
- GSM · L-gamma-glutamyl-S-methylcysteinylglycine · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 614 | 0.73 | 0.80 | 61 | GSM, GOL |
| 2 | 582 | 0.71 | 0.80 | 57 | MG, GSM, GOL |
| 3 | 413 | 0.69 | 0.81 | 57 | ACT |
| 4 | 336 | 0.56 | 0.75 | 36 | empty |
| 5 | 57 | 0.30 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 801 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6GMO · Plant glutamate cysteine ligase (GCL) in complex with non-reducing GSH (GSM) · the same entry in another collection · chain A against A, TM-score 1.00
- O23736 · AlphaFold monomer V2.0 prediction for glutamate--cysteine ligase, chloroplastic (O23736) · a predicted model of the same protein · chain B against A, 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 O23736
- Elsewhere: RCSB PDB 6GMO · PDBe 6GMO · UniProt O23736
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