MolNFT v1 · #76334 · protein
Crystal analysis of the complex structure, E342A-cellotetraose, of endocellulase from pyrococcus horikoshii
3QHM · 458AA long hypothetical endo-1,4-beta-glucanase: “Crystal analysis of the complex structure, E342A-cellotetraose, of endocellulase from pyrococcus horikoshii”. X-ray diffraction, 1 ligand (BGC), 7 pockets (best druggability 0.82).…
- PDB
- 3QHM
- 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
- 7 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 29% 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 | 29% 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
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1076 | 0.82 | 0.83 | 106 | BGC |
| 2 | 497 | 0.70 | 0.80 | 64 | empty |
| 3 | 194 | 0.49 | 0.76 | 27 | BGC |
| 4 | 84 | 0.48 | 0.82 | 19 | empty |
| 5 | 173 | 0.47 | 0.76 | 27 | BGC |
Interfaces
3 interfaces between chains.
- A–C · 789 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 497 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 246 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3QHM · Crystal analysis of the complex structure, E342A-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 3QHM · PDBe 3QHM · UniProt O58925
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