MolNFT v2 · #63903 · protein
Crystal structure of the second type II cohesin module from the cellulosomal adaptor ScaA scaffoldin of Acetivibrio cellulolyticus
3FNK · Cellulosomal scaffoldin adaptor protein B: “Crystal structure of the second type II cohesin module from the cellulosomal adaptor ScaA scaffoldin of…”. X-ray diffraction at 1.99, 4 pockets (best druggability 0.59). MolNFT v2 #63903…
- 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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