MolNFT v1 · #73710 · protein
The structure of CHI1, a chitinase from yersinia entomophaga
3OA5: “The structure of CHI1, a chitinase from yersinia entomophaga”. X-ray diffraction, 5 pockets (best druggability 0.82). MolNFT v1 #73710 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3OA5
- Type
- protein
- Length
- 1,029 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CHI1
- EC
- 3.2.1.14
- UniProt
- B6A876
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CHI1 (EC 3.2.1.14) | protein | 515 | 31% helix, 19% strand | B6A876 |
| B | CHI1 (EC 3.2.1.14) | protein | 514 | 31% helix, 19% strand | B6A876 |
Ligands and binding sites
- GOL · Glycerol · additive · 5 copies · chains A, B
- 2PE · Nonaethylene glycol · additive · 2 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 837 | 0.82 | 0.84 | 122 | GOL, 2PE |
| 2 | 261 | 0.73 | 0.87 | 52 | empty |
| 3 | 52 | 0.44 | 0.84 | 14 | 2PE |
| 4 | 83 | 0.35 | 0.76 | 14 | empty |
| 5 | 74 | 0.34 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1205 Ų buried · 9 hydrogen bonds · protein-protein
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 B6A876
- Elsewhere: RCSB PDB 3OA5 · PDBe 3OA5 · UniProt B6A876
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