MolNFT v1 · #26394 · protein
Crystal structure of a native chitinase from aspergillus fumigatus yj- 407
1WNO: “Crystal structure of a native chitinase from aspergillus fumigatus yj- 407”. X-ray diffraction, 4 ligands (NDG, NAG, MG), 5 pockets (best druggability 0.79). MolNFT v1 #26394 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1WNO
- Type
- protein
- Length
- 788 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase
- EC
- 3.2.1.14
- UniProt
- Q870C0
- Ligands
- NDG, NAG, MG, SO4
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chitinase (EC 3.2.1.14) | protein | 394 | 37% helix, 20% strand | Q870C0 |
Ligands and binding sites
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 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 | 1063 | 0.79 | 0.81 | 104 | SO4 |
| 2 | 325 | 0.65 | 0.80 | 40 | empty |
| 3 | 327 | 0.64 | 0.80 | 39 | empty |
| 4 | 172 | 0.44 | 0.75 | 25 | SO4 |
| 5 | 71 | 0.33 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 875 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1WNO · Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407 · 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 Q870C0
- Elsewhere: RCSB PDB 1WNO · PDBe 1WNO · UniProt Q870C0
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