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Crystal structure of a type III cohesin module from the cellulosomal scae cell-surface anchoring scaffoldin of ruminococcus flavefaciens
Analyse Crystal structure of a type III cohesin module from the cellulosomal scae… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ZF9
- Type
- protein
- Length
- 725 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Scae cell-surface anchored scaffoldin protein
- UniProt
- Q4A3Y2
- Ligands
- CL
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 10% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Scae cell-surface anchored scaffoldin protein | protein | 184 | 10% helix, 41% strand | Q4A3Y2 |
| B, C | Scae cell-surface anchored scaffoldin protein | protein | 180 | 11% helix, 42% strand | Q4A3Y2 |
| D | Scae cell-surface anchored scaffoldin protein | protein | 181 | 10% helix, 41% strand | Q4A3Y2 |
Ligands and binding sites
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 | 839 | 0.72 | 0.78 | 78 | empty |
| 2 | 135 | 0.55 | 0.82 | 24 | empty |
| 3 | 196 | 0.48 | 0.76 | 28 | empty |
| 4 | 243 | 0.46 | 0.72 | 39 | empty |
| 5 | 101 | 0.34 | 0.73 | 19 | empty |
Interfaces
4 interfaces between chains.
- B–C · 558 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 261 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 240 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 32 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 2ZF9 · Crystal structure of a type III cohesin module from the cellulosomal ScaE cell-surface… · 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 Q4A3Y2
- Elsewhere: RCSB PDB 2ZF9 · PDBe 2ZF9 · UniProt Q4A3Y2
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