Research workbench
Crystal structure of wild-type E.COLI gs in complex with ADP and GLUCOSE(WTGSD)
Analyse Crystal structure of wild-type E.COLI gs in complex with ADP and GLUCOSE(WTGSD) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2R4U
- Type
- protein
- Length
- 477 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycogen synthase
- EC
- 2.4.1.21
- UniProt
- P0A6U8
- Ligands
- ADP, 250, GLC
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycogen synthase (EC 2.4.1.21) | protein | 477 | 42% helix, 20% strand | P0A6U8 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- 250 · (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · chains A
- PE3 · 3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 554 | 0.78 | 0.84 | 61 | GLC, ADP, 250 |
| 2 | 128 | 0.47 | 0.78 | 19 | empty |
| 3 | 79 | 0.43 | 0.80 | 30 | empty |
Compared structures
- 2R4U · Crystal Structure of Wild-type E.coli GS in complex with ADP and Glucose(wtGSd) · the same entry in another collection · chain A against A, TM-score 1.00
- P0A6U8 · AlphaFold monomer V2.0 prediction for glycogen synthase (P0A6U8) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P0A6U8
- Elsewhere: RCSB PDB 2R4U · PDBe 2R4U · UniProt P0A6U8
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