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Crystal structure of the second type II cohesin module from the cellulosomal adaptor ScaA scaffoldin of Acetivibrio cellulolyticus
Analyse Crystal structure of the second type II cohesin module from the cellulosomal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FNK
- Type
- protein
- Length
- 517 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.99
- Source
- Acetivibrio cellulolyticus
- Molecule
- Cellulosomal scaffoldin adaptor protein B
- UniProt
- Q7WYN3
- Pockets
- 4 · best druggability 0.59
Structure
x-ray diffraction · resolution 1.99 · 3 distinct chains · 7% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cellulosomal scaffoldin adaptor protein B | protein | 174 | 7% helix, 39% strand | Q7WYN3 |
| B | Cellulosomal scaffoldin adaptor protein B | protein | 171 | 7% helix, 39% strand | Q7WYN3 |
| C | Cellulosomal scaffoldin adaptor protein B | protein | 172 | 8% helix, 40% strand | Q7WYN3 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 8 copies · chains A, C, B
- ACT · Acetate ion · additive · 4 copies · chains A, B, C
- PDO · 1,3-propandiol · additive · 3 copies · chains B, C
- BU1 · 1,4-butanediol · additive · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 243 | 0.59 | 0.80 | 38 | EDO |
| 2 | 197 | 0.55 | 0.79 | 35 | EDO |
| 3 | 117 | 0.41 | 0.76 | 24 | empty |
| 4 | 150 | 0.40 | 0.73 | 31 | ACT |
Interfaces
2 interfaces between chains.
- A–C · 853 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 135 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3FNK · Crystal structure of the second type II cohesin module from the cellulosomal adaptor scaa… · 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 Q7WYN3
- Elsewhere: RCSB PDB 3FNK · PDBe 3FNK · UniProt Q7WYN3
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