MolNFT v1 · #120787 · protein
Crystal structure of human full-length chitotriosidase (CHIT1)
5HBF · Chitotriosidase-1: “Crystal structure of human full-length chitotriosidase (CHIT1)”. X-ray diffraction, 5 pockets (best druggability 0.69). MolNFT v1 #120787 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5HBF
- Type
- protein
- Length
- 849 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitotriosidase-1
- EC
- 3.2.1.14
- UniProt
- Q13231
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitotriosidase-1 (EC 3.2.1.14) | protein | 424 | 31% helix, 26% strand | Q13231 |
| B | Chitotriosidase-1 (EC 3.2.1.14) | protein | 425 | 31% helix, 25% strand | Q13231 |
Ligands and binding sites
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 621 | 0.69 | 0.78 | 63 | empty |
| 2 | 395 | 0.66 | 0.79 | 37 | GOL |
| 3 | 341 | 0.61 | 0.78 | 42 | GOL |
| 4 | 247 | 0.48 | 0.73 | 27 | empty |
| 5 | 59 | 0.28 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1143 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
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 Q13231
- Elsewhere: RCSB PDB 5HBF · PDBe 5HBF · UniProt Q13231
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