Research workbench
Crystal structure of a GH12-2 family cellulase from thermococcus sp. 2319X1
Analyse Crystal structure of a GH12-2 family cellulase from thermococcus sp. 2319X1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7S8K
- Type
- protein
- Length
- 551 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellulase
- EC
- 3.2.1.4
- UniProt
- A0A0U3SGP7
- Ligands
- CA, CL
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cellulase (EC 3.2.1.4) | protein | 273 | 6% helix, 55% strand | A0A0U3SGP7 |
| B | Cellulase (EC 3.2.1.4) | protein | 278 | 6% helix, 55% strand | A0A0U3SGP7 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains B
- GOL · Glycerol · additive · 5 copies · chains A, B
- PE3 · 3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 480 | 0.74 | 0.83 | 48 | PE3 |
| 2 | 482 | 0.73 | 0.82 | 50 | PE3 |
| 3 | 61 | 0.28 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 876 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 7S8K · Crystal structure of a GH12-2 family cellulase from Thermococcus sp. 2319x1 · 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 A0A0U3SGP7
- Elsewhere: RCSB PDB 7S8K · PDBe 7S8K · UniProt A0A0U3SGP7
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