Research workbench
Crystal structure of E.COLI gs mutant E377A in complex with ADP and oligosaccharides
Analyse Crystal structure of E.COLI gs mutant E377A in complex with ADP and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CX4
- Type
- protein
- Length
- 476 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
- ETE, ADP, 250, GLC, BGC, NA
- Pockets
- 2 · 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 | 476 | 42% helix, 20% strand | P0A6U8 |
Ligands and binding sites
- ETE · 2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol · ligand · 12 copies · chains A
- 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 · 15 copies · chains A
- BGC · beta-D-glucopyranose · sugar · chains A
- NA · Sodium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 597 | 0.78 | 0.84 | 74 | GLC, NA, ADP, ETE |
| 2 | 122 | 0.45 | 0.78 | 18 | ETE |
Compared structures
- 3CX4 · Crystal Structure of E.coli GS mutant E377A in complex with ADP and oligosaccharides · 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 0.95
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 3CX4 · PDBe 3CX4 · UniProt P0A6U8
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