Research workbench
1.90 ångström resolution crystal structure of glutathione reductase from streptococcus pyogenes in complex with FAD.
Analyse 1.90 ångström 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 v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- 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 · 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 Angstrom 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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