MolNFT v1 · #40548 · protein
Structure of the chitin deacetylase from the fungal pathogen colletotrichum lindemuthianum
2IW0: “Structure of the chitin deacetylase from the fungal pathogen colletotrichum lindemuthianum”. X-ray diffraction, 3 ligands (ZN, CL, PO4), 1 pocket (best druggability 0.31). MolNFT v1 #40548 on GenesisL1: 3D structure, binding sites…
- PDB
- 2IW0
- Type
- protein
- Length
- 226 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitin deacetylase
- EC
- 3.5.1.41
- UniProt
- Q6DWK3
- Ligands
- ZN, CL, PO4
- Pockets
- 1 · best druggability 0.31
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitin deacetylase (EC 3.5.1.41) | protein | 226 | 41% helix, 16% strand | Q6DWK3 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
- CL · Chloride ion · ion · chains A
- PO4 · Phosphate ion · ion · chains A
- ACT · Acetate ion · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.31 | 0.76 | 17 | ZN, ACT |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2IW0 · Structure of the chitin deacetylase from the fungal pathogen Colletotrichum lindemuthianum · the same entry in another collection · chain A against A, TM-score 1.00
- Q6DWK3 · AlphaFold monomer V2.0 prediction for chitin deacetylase (Q6DWK3) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q6DWK3
- Elsewhere: RCSB PDB 2IW0 · PDBe 2IW0 · UniProt Q6DWK3
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