MolNFT v1 · #55075 · protein
A. nidulans chitin deacetylase
2Y8U: “A. nidulans chitin deacetylase”. X-ray diffraction, 4 ligands (NA, CO, PO4), 1 pocket (best druggability 0.63). MolNFT v1 #55075 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2Y8U
- Type
- protein
- Length
- 423 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitin deacetylase
- UniProt
- Q5AQQ0
- Ligands
- NA, CO, PO4, CL
- Pockets
- 1 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitin deacetylase | protein | 211 | 48% helix, 16% strand | Q5AQQ0 |
| B | Chitin deacetylase | protein | 212 | 48% helix, 15% strand | Q5AQQ0 |
Ligands and binding sites
- NA · Sodium ion · metal · 3 copies · chains A
- CO · Cobalt (II) ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 553 | 0.63 | 0.75 | 50 | PO4, CO |
Interfaces
1 interface between chains.
- A–B · 627 Ų buried · 13 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 Q5AQQ0
- Elsewhere: RCSB PDB 2Y8U · PDBe 2Y8U · UniProt Q5AQQ0
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