Research workbench
Structure of intact chitinase with hevein domain from the plant simarouba glauca, known for its traditional anti-inflammatory efficacy
Analyse Structure of intact chitinase with hevein domain from the plant simarouba… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LNR
- Type
- protein
- Length
- 292 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Class-1 chitinase
- Ligands
- NAG, MG, CL
- Pockets
- 4 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Class-1 chitinase | protein | 292 | 37% helix, 5% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 224 | 0.51 | 0.75 | 36 | CL, MG |
| 2 | 74 | 0.34 | 0.75 | 14 | MG |
| 3 | 54 | 0.30 | 0.76 | 12 | empty |
| 4 | 53 | 0.29 | 0.76 | 16 | CL |
Modifications
Observed in the structure: 9 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 6LNR · Structure of intact chitinase with hevein domain from the plant Simarouba glauca, known… · 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 6LNR · PDBe 6LNR
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