MolNFT v1 · #60619 · protein
Crystal structure of E.COLI gs mutant E377A in complex with ADP and oligosaccharides
3CX4 · Glycogen synthase: “Crystal structure of E.COLI gs mutant E377A in complex with ADP and oligosaccharides”. X-ray diffraction, 6 ligands (ETE, ADP, 250), 2 pockets (best druggability 0.78). MolNFT v1 #60619 on GenesisL1: 3D…
- 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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