MolNFT v1 · #112834 · protein
X-ray crystal structure of chitosan-binding module 1 derived from CHITOSANASE/GLUCANASE from paenibacillus sp. ik-5.
4ZXE · GLUCANASE/CHITOSANASE: “X-ray crystal structure of chitosan-binding module 1 derived from CHITOSANASE/GLUCANASE from paenibacillus…”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.56). MolNFT v1 #112834 on…
- PDB
- 4ZXE
- Type
- protein
- Length
- 400 residues
- Chains
- 3
- 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
- SO4
- Pockets
- 5 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | GLUCANASE/CHITOSANASE (EC 3.2.1.4, 3.2.1.132) | protein | 132 | 4% helix, 52% strand | Q93IE7 |
| C | GLUCANASE/CHITOSANASE (EC 3.2.1.4, 3.2.1.132) | protein | 136 | 3% helix, 51% strand | Q93IE7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C
- EDO · 1,2-ethanediol · additive · 18 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 144 | 0.56 | 0.82 | 25 | empty |
| 2 | 98 | 0.40 | 0.77 | 22 | EDO |
| 3 | 90 | 0.39 | 0.77 | 22 | EDO |
| 4 | 78 | 0.36 | 0.76 | 21 | EDO |
| 5 | 57 | 0.34 | 0.78 | 14 | empty |
Interfaces
3 interfaces between chains.
- B–C · 564 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 507 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 493 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4ZXE · X-ray crystal structure of chitosan-binding module 1 derived from chitosanase/glucanase… · 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 4ZXE · PDBe 4ZXE · UniProt Q93IE7
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