Research workbench
Crystal structure of TT0972 protein from thermus thermophilus with cs(+) ions
Analyse Crystal structure of TT0972 protein from thermus thermophilus with cs(+) ions in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2DEV
- Type
- protein
- Length
- 404 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TT0972 protein
- Ligands
- CS, NA, CL
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | TT0972 protein | protein | 68 | 22% helix, 56% strand | — |
| C, D, E, F | TT0972 protein | protein | 67 | 22% helix, 57% strand | — |
Ligands and binding sites
- CS · Cesium ion · metal · chains A, B, C
- NA · Sodium ion · metal · chains D, E, F
- CL · Chloride ion · ion · 2 copies · chains A, F, B, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 331 | 0.64 | 0.80 | 27 | empty |
| 2 | 133 | 0.42 | 0.76 | 23 | empty |
| 3 | 92 | 0.41 | 0.78 | 12 | empty |
Interfaces
9 interfaces between chains.
- A–C · 634 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 631 Ų buried · 10 hydrogen bonds · protein-protein
- E–F · 625 Ų buried · 8 hydrogen bonds · protein-protein
- D–E · 602 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 599 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2DEV · Crystal structure of tt0972 protein from Thermus Thermophilus with Cs(+) ions · 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
- Elsewhere: RCSB PDB 2DEV · PDBe 2DEV
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