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Crystal structure of single mutant thermostable endoglucanase (D468A) from alicyclobacillus acidocaldarius
Analyse Crystal structure of single mutant thermostable endoglucanase (D468A) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5E2J
- Type
- protein
- Length
- 1,059 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase
- EC
- 3.2.1.4
- UniProt
- Q9AJS0
- Ligands
- CA, ZN
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase (EC 3.2.1.4) | protein | 530 | 40% helix, 13% strand | Q9AJS0 |
| B | Endoglucanase (EC 3.2.1.4) | protein | 529 | 41% helix, 14% strand | Q9AJS0 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 660 | 0.75 | 0.81 | 66 | empty |
| 2 | 349 | 0.60 | 0.77 | 43 | MPD |
| 3 | 323 | 0.60 | 0.78 | 35 | empty |
| 4 | 72 | 0.35 | 0.77 | 16 | empty |
| 5 | 76 | 0.33 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 587 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 5E2J · Crystal structure of single mutant thermostable endoglucanase (D468A) 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
- Every structure of UniProt Q9AJS0
- Elsewhere: RCSB PDB 5E2J · PDBe 5E2J · UniProt Q9AJS0
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