Research workbench
Structure of C. immitis chitinase 1 complexed with allosamidin
Analyse Structure of C. immitis chitinase 1 complexed with allosamidin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1LL4
- Type
- protein
- Length
- 1,568 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase 1
- EC
- 3.2.1.14
- Ligands
- AMI, NAA
- Pockets
- 9 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Chitinase 1 (EC 3.2.1.14) | protein | 392 | 35% helix, 21% strand | — |
Ligands and binding sites
- AMI · Allosamizoline · ligand · 4 copies · chains A, B, C, D
- NAA · 2-acetamido-2-deoxy-beta-D-allopyranose · sugar · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1188 | 0.83 | 0.84 | 153 | NAA, AMI |
| 2 | 435 | 0.79 | 0.87 | 61 | NAA, AMI |
| 3 | 293 | 0.73 | 0.86 | 62 | NAA, AMI |
| 4 | 656 | 0.72 | 0.79 | 80 | empty |
| 5 | 433 | 0.64 | 0.78 | 50 | empty |
Interfaces
5 interfaces between chains.
- C–D · 809 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 807 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 385 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 357 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 74 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1LL4 · Structure of C. immitis chitinase 1 complexed with allosamidin · 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 1LL4 · PDBe 1LL4
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