Research workbench
Cellobiohydrolase II (CEL6A) from humicola insolens in complex with glucose and cellotetraose
Analyse Cellobiohydrolase II (CEL6A) from humicola insolens in complex with glucose and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2BVW
- Type
- protein
- Length
- 721 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellobiohydrolase II
- EC
- 3.2.1.91
- UniProt
- Q9C1S9
- Ligands
- BGC, NAG, GLC
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cellobiohydrolase II (EC 3.2.1.91) | protein | 361 | 38% helix, 12% strand | Q9C1S9 |
| B | Cellobiohydrolase II (EC 3.2.1.91) | protein | 360 | 38% helix, 12% strand | Q9C1S9 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 8 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · chains B
- GOL · Glycerol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 356 | 0.74 | 0.86 | 52 | BGC |
| 2 | 323 | 0.72 | 0.85 | 49 | BGC |
Modifications
Observed in the structure: 4 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 2BVW · Cellobiohydrolase II (CEL6A) from humicola insolens in complex with glucose and… · the same entry in another collection · chain B against B, TM-score 1.00
- Q9C1S9 · AlphaFold monomer V2.0 prediction for exoglucanase-6A (Q9C1S9) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9C1S9
- Elsewhere: RCSB PDB 2BVW · PDBe 2BVW · UniProt Q9C1S9
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