Research workbench
Anatomy of an engineered NAD-binding site
Analyse Anatomy of an engineered NAD-binding site in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1GET
- Type
- protein
- Length
- 897 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione reductase
- EC
- 1.6.4.2
- UniProt
- P06715
- Ligands
- FAD, NAP
- Pockets
- 5 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione reductase (EC 1.6.4.2) | protein | 448 | 36% helix, 28% strand | P06715 |
| B | Glutathione reductase (EC 1.6.4.2) | protein | 449 | 36% helix, 28% strand | P06715 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1117 | 0.87 | 0.87 | 121 | empty |
| 2 | 811 | 0.80 | 0.83 | 97 | FAD, NAP |
| 3 | 845 | 0.79 | 0.82 | 105 | FAD, NAP |
| 4 | 77 | 0.48 | 0.83 | 21 | empty |
| 5 | 59 | 0.47 | 0.85 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 3475 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
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 P06715
- Elsewhere: RCSB PDB 1GET · PDBe 1GET · UniProt P06715
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