Research workbench
Crystal structure of the glycogen synthase from a. tumefaciens in complex with ADP
Analyse Crystal structure of the glycogen synthase from a. tumefaciens in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1RZU
- Type
- protein
- Length
- 955 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycogen synthase 1
- EC
- 2.4.1.21
- UniProt
- P0A3F3
- Ligands
- ADP
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycogen synthase 1 (EC 2.4.1.21) | protein | 477 | 40% helix, 20% strand | P0A3F3 |
| B | Glycogen synthase 1 (EC 2.4.1.21) | protein | 478 | 40% helix, 20% strand | P0A3F3 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 472 | 0.77 | 0.85 | 65 | empty |
| 2 | 534 | 0.76 | 0.83 | 52 | empty |
| 3 | 785 | 0.72 | 0.77 | 72 | ADP |
| 4 | 827 | 0.70 | 0.75 | 85 | ADP |
| 5 | 99 | 0.55 | 0.84 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 987 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 1RZU · Crystal structure of the glycogen synthase from A. tumefaciens in complex with ADP · the same entry in another collection · chain A against A, TM-score 1.00
- P0A3F3 · AlphaFold monomer V2.0 prediction for glycogen synthase 1 (P0A3F3) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 P0A3F3
- Elsewhere: RCSB PDB 1RZU · PDBe 1RZU · UniProt P0A3F3
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