Research workbench
Crystal structure of immunomodulatory active chitinase from trichuris suis - TSES1 - 6 molecules in asu
Analyse Crystal structure of immunomodulatory active chitinase from trichuris suis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6G9E
- Type
- protein
- Length
- 2,208 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Immunomodulatory active chitinase
- UniProt
- A0A085LU44
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Immunomodulatory active chitinase | protein | 368 | 35% helix, 23% strand | A0A085LU44 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 822 | 0.76 | 0.80 | 90 | empty |
| 2 | 1141 | 0.76 | 0.78 | 90 | empty |
| 3 | 1027 | 0.75 | 0.77 | 82 | empty |
| 4 | 604 | 0.71 | 0.79 | 57 | empty |
| 5 | 580 | 0.71 | 0.79 | 55 | EDO |
Interfaces
10 interfaces between chains.
- A–B · 383 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 381 Ų buried · 1 hydrogen bond · protein-protein
- E–F · 371 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 370 Ų buried · 2 hydrogen bonds · protein-protein
- A–E · 234 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 disulfide (disulfide).
Compared structures
- 6G9E · Crystal structure of immunomodulatory active chitinase from Trichuris suis - TsES1 - 6… · 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 A0A085LU44
- Elsewhere: RCSB PDB 6G9E · PDBe 6G9E · UniProt A0A085LU44
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