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1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase from Streptococcus pyogenes in Complex with FAD.
Analyse 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6N7F
- Type
- protein
- Length
- 1,802 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.9
- Source
- Streptococcus pyogenes serotype M1
- Molecule
- Putative glutathione reductase (GR)
- EC
- 1.8.1.7
- UniProt
- Q9A0E2
- Ligands
- FAD, RBF, BCT, CL
- Pockets
- 16 · best druggability 0.86
Structure
x-ray diffraction · resolution 1.9 · 2 distinct chains · 36% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Putative glutathione reductase (GR) (EC 1.8.1.7) | protein | 451 | 36% helix, 26% strand | Q9A0E2 |
| B, C | Putative glutathione reductase (GR) (EC 1.8.1.7) | protein | 450 | 36% helix, 26% strand | Q9A0E2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- RBF · Riboflavin · ligand · chains A
- BCT · Bicarbonate ion · ligand · chains A
- CL · Chloride ion · ion · 17 copies · chains A, B, C, D
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 4 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1076 | 0.86 | 0.87 | 137 | BTB, CL |
| 2 | 1165 | 0.85 | 0.85 | 103 | BTB, CL |
| 3 | 491 | 0.79 | 0.87 | 74 | FAD, CL |
| 4 | 818 | 0.79 | 0.82 | 92 | FAD, CL |
| 5 | 794 | 0.78 | 0.82 | 92 | FAD, CL |
Interfaces
4 interfaces between chains.
- C–D · 3614 Ų buried · 40 hydrogen bonds · protein-protein
- A–B · 3599 Ų buried · 36 hydrogen bonds · protein-protein
- A–C · 628 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 170 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6N7F · 1.90 ångström resolution crystal structure of glutathione reductase from streptococcus… · the same entry in another collection · chain A 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 Q9A0E2
- Elsewhere: RCSB PDB 6N7F · PDBe 6N7F · UniProt Q9A0E2
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