MolNFT v1 · #32620 · protein
Cellobiohydrolase II (CEL6A) from humicola insolens in complex with glucose and cellotetraose
2BVW: “Cellobiohydrolase II (CEL6A) from humicola insolens in complex with glucose and cellotetraose”. X-ray diffraction, 3 ligands (BGC, NAG, GLC), 2 pockets (best druggability 0.74). MolNFT v1 #32620 on GenesisL1: 3D structure, binding…
- 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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