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Crystal analysis of the complex structure, E201A-cellotetraose, of endocellulase from pyrococcus horikoshii
Analyse Crystal analysis of the complex structure, E201A-cellotetraose, of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QHN
- Type
- protein
- Length
- 1,131 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 458AA long hypothetical endo-1,4-beta-glucanase
- EC
- 3.2.1.4
- UniProt
- O58925
- Ligands
- BGC
- Pockets
- 9 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | 458AA long hypothetical endo-1,4-beta-glucanase (EC 3.2.1.4) | protein | 377 | 31% helix, 17% strand | O58925 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 14 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1158 | 0.81 | 0.83 | 123 | BGC |
| 2 | 190 | 0.60 | 0.82 | 28 | empty |
| 3 | 108 | 0.52 | 0.82 | 26 | empty |
| 4 | 194 | 0.51 | 0.77 | 29 | BGC |
| 5 | 202 | 0.50 | 0.76 | 26 | BGC |
Interfaces
3 interfaces between chains.
- A–C · 790 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 532 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 244 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3QHN · Crystal analysis of the complex structure, E201A-cellotetraose, of endocellulase from… · 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 O58925
- Elsewhere: RCSB PDB 3QHN · PDBe 3QHN · UniProt O58925
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