MolNFT v2 · #224598 · protein
X-Ray crystal structure of glycoside hydrolase family 6 cellobiohydrolase from Phanerochaete chrysosporium PcCel6A C240S/C393S soaked in methyl-cellobiosyl-4-deoxy-4-thio-beta-D-cellobioside
8X09 · Glucanase: “X-Ray crystal structure of glycoside hydrolase family 6 cellobiohydrolase from Phanerochaete chrysosporium…”. X-ray diffraction at 1.65, 3 ligands (BGC, MGL, SGC), 1 pocket (best druggability 0.77). MolNFT v2 #224598 on…
- PDB
- 8X09
- Type
- protein
- Length
- 358 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.65
- Source
- Phanerodontia chrysosporium
- Molecule
- Glucanase
- EC
- 3.2.1.-
- UniProt
- H3K419
- Ligands
- BGC, MGL, SGC
- Pockets
- 1 · best druggability 0.77
Structure
x-ray diffraction · resolution 1.65 · 1 distinct chain · 39% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucanase (EC 3.2.1.-) | protein | 358 | 39% helix, 12% strand | H3K419 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
- MGL · methyl beta-D-glucopyranoside · sugar · chains A
- SGC · 4-thio-beta-D-glucopyranose · sugar · chains A
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A
- PGE · Triethylene glycol · additive
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 | 559 | 0.77 | 0.84 | 59 | MGL, SGC, BGC |
Modifications
Observed in the structure: 2 disulfide (disulfide).
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 H3K419
- Elsewhere: RCSB PDB 8X09 · PDBe 8X09 · UniProt H3K419
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