MolNFT v1 · #69756 · protein
Crystal structure of monomeric glycogen synthase from pyrococcus abyssi
3L01 · Glga glycogen synthase: “Crystal structure of monomeric glycogen synthase from pyrococcus abyssi”. X-ray diffraction, 3 ligands (GLC, K, CL), 5 pockets (best druggability 0.74). MolNFT v1 #69756 on GenesisL1: 3D structure, binding…
- PDB
- 3L01
- Type
- protein
- Length
- 856 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glga glycogen synthase
- EC
- 2.4.1.21
- UniProt
- Q9V2J8
- Ligands
- GLC, K, CL
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glga glycogen synthase (EC 2.4.1.21) | protein | 428 | 43% helix, 21% strand | Q9V2J8 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 8 copies · chains A, B
- K · Potassium ion · metal · 6 copies · chains A, B
- CL · Chloride ion · ion · 6 copies · chains A, B
- GOL · Glycerol · additive · 4 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 | 939 | 0.74 | 0.77 | 82 | K, CL, GOL |
| 2 | 739 | 0.70 | 0.77 | 55 | K, CL, GOL |
| 3 | 350 | 0.68 | 0.81 | 43 | empty |
| 4 | 81 | 0.33 | 0.74 | 15 | empty |
| 5 | 50 | 0.24 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 728 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3L01 · Crystal structure of monomeric glycogen synthase from Pyrococcus abyssi · the same entry in another collection · chain A against A, TM-score 1.00
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 Q9V2J8
- Elsewhere: RCSB PDB 3L01 · PDBe 3L01 · UniProt Q9V2J8
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