Research workbench
Cellobiohydrolase CEL7A from T. atroviride
Analyse Cellobiohydrolase CEL7A from T. atroviride in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5O59
- Type
- protein
- Length
- 860 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucanase
- EC
- 3.2.1.-
- UniProt
- G9NTY1
- Ligands
- GS1, GLC, NAG, NI
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucanase (EC 3.2.1.-) | protein | 430 | 12% helix, 36% strand | G9NTY1 |
Ligands and binding sites
- GS1 · 1-thio-beta-D-glucopyranose · ligand · 8 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- NI · Nickel (II) ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1160 | 0.85 | 0.86 | 129 | GOL, GS1, GLC |
| 2 | 1063 | 0.83 | 0.84 | 92 | GOL, GS1, GLC |
| 3 | 51 | 0.27 | 0.74 | 17 | GOL |
Interfaces
1 interface between chains.
- A–B · 252 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 20 disulfide, 2 glycan, 2 modified (disulfide, N-glycosylation, cyclization).
Compared structures
- 5O59 · Cellobiohydrolase Cel7A from T. atroviride · 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 G9NTY1
- Elsewhere: RCSB PDB 5O59 · PDBe 5O59 · UniProt G9NTY1
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