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Crystal structure of the catalytic unit of thermostable GH87 alpha-1, 3-glucanase from streptomyces thermodiastaticus strain HF3-3
Analyse Crystal structure of the catalytic unit of thermostable GH87 alpha-1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7C7D
- Type
- protein
- Length
- 1,078 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-1,3-glucanase
- EC
- 3.2.1.59
- Ligands
- CA
- Pockets
- 11 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alpha-1,3-glucanase (EC 3.2.1.59) | protein | 539 | 4% helix, 46% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 647 | 0.73 | 0.80 | 90 | empty |
| 2 | 449 | 0.68 | 0.80 | 51 | empty |
| 3 | 389 | 0.64 | 0.79 | 46 | empty |
| 4 | 56 | 0.58 | 0.91 | 25 | empty |
| 5 | 65 | 0.55 | 0.88 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 674 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7C7D · Crystal structure of the catalytic unit of thermostable GH87 alpha-1,3-glucanase from… · 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
- Elsewhere: RCSB PDB 7C7D · PDBe 7C7D
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