Research workbench
Crystal structure of a double mutant T41S T82S of a betagamma- crystallin domain from clostridium beijerinckii
Analyse Crystal structure of a double mutant T41S T82S of a betagamma- crystallin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SO1
- Type
- protein
- Length
- 700 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Clostrillin
- UniProt
- A6LX94
- Ligands
- CA, SO4
- Pockets
- 5 · best druggability 0.45
Structure
x-ray diffraction · 3 distinct chains · 10% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, F | Clostrillin | protein | 87 | 7% helix, 45% strand | A6LX94 |
| E, G | Clostrillin | protein | 88 | 14% helix, 44% strand | A6LX94 |
| H | Clostrillin | protein | 89 | 10% helix, 44% strand | A6LX94 |
Ligands and binding sites
- CA · Calcium ion · metal · 8 copies · chains A, B, C, D, E, F, G, H
- SO4 · Sulfate ion · ion · 2 copies · chains E, H, F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 227 | 0.45 | 0.73 | 30 | empty |
| 2 | 193 | 0.45 | 0.74 | 24 | empty |
| 3 | 173 | 0.44 | 0.74 | 35 | CA |
| 4 | 86 | 0.31 | 0.73 | 24 | empty |
| 5 | 63 | 0.27 | 0.73 | 19 | empty |
Interfaces
9 interfaces between chains.
- B–G · 308 Ų buried · 8 hydrogen bonds · protein-protein
- D–F · 307 Ų buried · 8 hydrogen bonds · protein-protein
- A–H · 304 Ų buried · 9 hydrogen bonds · protein-protein
- C–E · 297 Ų buried · 8 hydrogen bonds · protein-protein
- B–E · 257 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3SO1 · Crystal structure of a double mutant T41S T82S of a betagamma-crystallin domain 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 A6LX94
- Elsewhere: RCSB PDB 3SO1 · PDBe 3SO1 · UniProt A6LX94
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