MolNFT v1 · #35449 · protein
Crystal structure anaalysis of oligoxyloglucan reducing-end-specific cellobiohydrolase (oxg-rcbh) D465N mutant complexed with a xyloglucan heptasaccharide
2EBS · Oligoxyloglucan reducing end-specific cellobiohydrolase: “Crystal structure anaalysis of oligoxyloglucan reducing-end-specific cellobiohydrolase (oxg-rcbh) D465N…”. X-ray diffraction, 2 ligands (BGC, XYS), 14 pockets (best…
- PDB
- 2EBS
- Type
- protein
- Length
- 1,541 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oligoxyloglucan reducing end-specific cellobiohydrolase
- EC
- 3.2.1.150
- UniProt
- Q8J0D2
- Ligands
- BGC, XYS
- Pockets
- 14 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oligoxyloglucan reducing end-specific cellobiohydrolase (EC 3.2.1.150) | protein | 770 | 4% helix, 38% strand | Q8J0D2 |
| B | Oligoxyloglucan reducing end-specific cellobiohydrolase (EC 3.2.1.150) | protein | 771 | 4% helix, 38% strand | Q8J0D2 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 8 copies · chains A, B
- XYS · alpha-D-xylopyranose · sugar · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 693 | 0.81 | 0.85 | 47 | empty |
| 2 | 701 | 0.81 | 0.85 | 47 | empty |
| 3 | 329 | 0.74 | 0.86 | 47 | empty |
| 4 | 328 | 0.74 | 0.86 | 45 | empty |
| 5 | 187 | 0.63 | 0.84 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 513 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2EBS · Crystal Structure Anaalysis of Oligoxyloglucan reducing-end-specific cellobiohydrolase… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8J0D2 · AlphaFold monomer V2.0 prediction for oligoxyloglucan reducing end- specific… · a predicted model of the same protein · chain B 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 Q8J0D2
- Elsewhere: RCSB PDB 2EBS · PDBe 2EBS · UniProt Q8J0D2
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