MolNFT v1 · #177518 · protein
Crystal structure of the candida glabrata glycogen debranching enzyme (W470A E564Q) in complex with maltononaose
7EKX · 4-alpha-glucanotransferase: “Crystal structure of the candida glabrata glycogen debranching enzyme (W470A E564Q) in complex with…”. X-ray diffraction, 1 ligand (GLC), 20 pockets (best druggability 0.84). MolNFT v1 #177518 on…
- PDB
- 7EKX
- Type
- protein
- Length
- 3,052 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-alpha-glucanotransferase
- EC
- 2.4.1.25, 3.2.1.33
- UniProt
- Q6FSK0
- Ligands
- GLC
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 4-alpha-glucanotransferase (EC 2.4.1.25, 3.2.1.33) | protein | 1526 | 35% helix, 16% strand | Q6FSK0 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 17 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 809 | 0.84 | 0.86 | 82 | empty |
| 2 | 1043 | 0.83 | 0.84 | 96 | empty |
| 3 | 63 | 0.74 | 0.99 | 28 | empty |
| 4 | 544 | 0.72 | 0.81 | 60 | empty |
| 5 | 580 | 0.72 | 0.80 | 72 | empty |
Interfaces
1 interface between chains.
- A–B · 215 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7EKX · Crystal Structure of the Candida Glabrata Glycogen Debranching Enzyme (W470A E564Q) in… · 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 Q6FSK0
- Elsewhere: RCSB PDB 7EKX · PDBe 7EKX · UniProt Q6FSK0
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