Research workbench
X-ray crystal structure of chitosan-binding module 2 in complex with chitotriose derived from CHITOSANASE/GLUCANASE from paenibacillus sp. ik-5
Analyse X-ray crystal structure of chitosan-binding module 2 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZZ8
- Type
- protein
- Length
- 263 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GLUCANASE/CHITOSANASE
- EC
- 3.2.1.4, 3.2.1.132
- UniProt
- Q93IE7
- Ligands
- GCS, SO4
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GLUCANASE/CHITOSANASE (EC 3.2.1.4, 3.2.1.132) | protein | 132 | 3% helix, 53% strand | Q93IE7 |
| B | GLUCANASE/CHITOSANASE (EC 3.2.1.4, 3.2.1.132) | protein | 131 | 3% helix, 53% strand | Q93IE7 |
Ligands and binding sites
- GCS · 2-amino-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 384 | 0.65 | 0.79 | 47 | EDO |
Interfaces
1 interface between chains.
- A–B · 277 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4ZZ8 · X-ray crystal structure of chitosan-binding module 2 in complex with chitotriose derived… · 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 Q93IE7
- Elsewhere: RCSB PDB 4ZZ8 · PDBe 4ZZ8 · UniProt Q93IE7
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